I certainly thought I had run it in the right directory, but having done it again it has just outputted that info.py has been updated, so perhaps not, my apologies! free -m gives the following output:- total used free shared buffers cached Mem: 2011 1958 53 0 2 41 -/+ buffers/cache: 1914 97 Swap: 5889 927 4962 ----------- And relax -i gives the following:- relax repository checkout Molecular dynamics by NMR data analysis Copyright (C) 2001-2006 Edward d'Auvergne Copyright (C) 2006-2012 the relax development team This is free software which you are welcome to modify and redistribute under the conditions of the GNU General Public License (GPL). This program, including all modules, is licensed under the GPL and comes with absolutely no warranty. For details type 'GPL' within the relax prompt. Assistance in using the relax prompt and scripting interface can be accessed by typing 'help' within the prompt. ImportError: relaxation curve fitting is unavailable, the corresponding C modules have not been compiled. Processor fabric: Uni-processor. Hardware information: Machine: i686 Processor: Endianness: little Total RAM size: 2011 Mb Total swap size: 5889 Mb Operating system information: System: Linux Release: 2.6.32-38-generic Version: #83-Ubuntu SMP Wed Jan 4 11:13:04 UTC 2012 GNU/Linux version: Ubuntu 10.04 lucid Distribution: Ubuntu 10.04 lucid Full platform string: Linux-2.6.32-38-generic-i686-with-Ubuntu-10.04-lucid Python information: Architecture: 32bit ELF Python version: 2.6.5 Python branch: tags/r265 Python build: r265:79063, Apr 16 2010 13:09:56 Python compiler: GCC 4.4.3 Libc version: glibc 2.4 Python implementation: CPython Python revision: 79063 Python executable: /usr/bin/python Python flags: sys.flags(debug=0, py3k_warning=0, division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0, dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0, tabcheck=0, verbose=0, unicode=0, bytes_warning=0) Python float info: sys.floatinfo(max=1.7976931348623157e+308, max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021, min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.2204460492503131e-16, radix=2, rounds=1) Python module path: ['', '/home1/hugh/installs/relax-1.3', '/home1/hugh/programs/mattfit', '/usr/lib/python2.6', '/usr/lib/python2.6/plat-linux2', '/usr/lib/python2.6/lib-tk', '/usr/lib/python2.6/lib-old', '/usr/lib/python2.6/lib-dynload', '/usr/lib/python2.6/dist-packages', '/usr/lib/python2.6/dist-packages/PIL', '/usr/lib/python2.6/dist-packages/gst-0.10', '/usr/lib/pymodules/python2.6', '/usr/lib/python2.6/dist-packages/gtk-2.0', '/usr/lib/pymodules/python2.6/gtk-2.0', '/usr/local/lib/python2.6/dist-packages', '/home1/hugh/installs/relax-1.3/extern/scientific_python/linux2'] Python packages (most are optional): Package Installed Version Path minfx True Unknown /usr/local/lib/python2.6/dist-packages/minfx bmrblib False numpy True 1.3.0 /usr/lib/python2.6/dist-packages/numpy scipy True 0.7.0 /usr/lib/python2.6/dist-packages/scipy wxPython False mpi4py False epydoc False optparse True 1.5.3 /usr/lib/python2.6/optparse.pyc readline True /usr/lib/python2.6/lib-dynload/readline.so profile True /usr/lib/python2.6/profile.pyc bz2 True /usr/lib/python2.6/lib-dynload/bz2.so gzip True /usr/lib/python2.6/gzip.pyc os.devnull True /usr/lib/python2.6/os.pyc Compiled relax C modules: Relaxation curve fitting: False ----------- Alas the computer is running extremely slowly so I expect I will get the MemoryError at some point again. Cheers Hugh On 6 March 2012 16:19, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:
Did you run 'svn up' in the base relax directory? And did you see a message that some files were updated? What happens if you type 'free -m' on your system? Cheers, Edward On 6 March 2012 15:59, Hugh RW Dannatt <h.dannatt@xxxxxxxxxxxxxxx> wrote:Okay, made those changes, and it is now running. Thanks. I've run "svn up" and got the message " Skipped '.' ", which I guess I can ignore. Output of relax -i:- relax repository checkout Molecular dynamics by NMR data analysis Copyright (C) 2001-2006 Edward d'Auvergne Copyright (C) 2006-2012 the relax development team This is free software which you are welcome to modify and redistribute under the conditions of the GNU General Public License (GPL). This program, including all modules, is licensed under the GPL and comes with absolutely no warranty. For details type 'GPL' within the relax prompt. Assistance in using the relax prompt and scripting interface can be accessed by typing 'help' within the prompt. ImportError: relaxation curve fitting is unavailable, the corresponding C modules have not been compiled. Processor fabric: Uni-processor. Hardware information: Machine: i686 Processor: Endianness: little Operating system information: System: Linux Release: 2.6.32-38-generic Version: #83-Ubuntu SMP Wed Jan 4 11:13:04 UTC 2012 GNU/Linux version: Ubuntu 10.04 lucid Distribution: Ubuntu 10.04 lucid Full platform string: Linux-2.6.32-38-generic-i686-with-Ubuntu-10.04-lucid Python information: Architecture: 32bit ELF Python version: 2.6.5 Python branch: tags/r265 Python build: r265:79063, Apr 16 2010 13:09:56 Python compiler: GCC 4.4.3 Libc version: glibc 2.4 Python implementation: CPython Python revision: 79063 Python executable: /usr/bin/python Python flags: sys.flags(debug=0, py3k_warning=0, division_warning=0, division_new=0, inspect=0, interactive=0, optimize=0, dont_write_bytecode=0, no_user_site=0, no_site=0, ignore_environment=0, tabcheck=0, verbose=0, unicode=0, bytes_warning=0) Python float info: sys.floatinfo(max=1.7976931348623157e+308, max_exp=1024, max_10_exp=308, min=2.2250738585072014e-308, min_exp=-1021, min_10_exp=-307, dig=15, mant_dig=53, epsilon=2.2204460492503131e-16, radix=2, rounds=1) Python module path: ['', '/home1/hugh/installs/relax-1.3', '/home1/hugh/programs/mattfit', '/usr/lib/python2.6', '/usr/lib/python2.6/plat-linux2', '/usr/lib/python2.6/lib-tk', '/usr/lib/python2.6/lib-old', '/usr/lib/python2.6/lib-dynload', '/usr/lib/python2.6/dist-packages', '/usr/lib/python2.6/dist-packages/PIL', '/usr/lib/python2.6/dist-packages/gst-0.10', '/usr/lib/pymodules/python2.6', '/usr/lib/python2.6/dist-packages/gtk-2.0', '/usr/lib/pymodules/python2.6/gtk-2.0', '/usr/local/lib/python2.6/dist-packages', '/home1/hugh/installs/relax-1.3/extern/scientific_python/linux2'] Python packages (most are optional): Package Installed Version Path minfx True Unknown /usr/local/lib/python2.6/dist-packages/minfx bmrblib False numpy True 1.3.0 /usr/lib/python2.6/dist-packages/numpy scipy True 0.7.0 /usr/lib/python2.6/dist-packages/scipy wxPython False mpi4py False epydoc False optparse True 1.5.3 /usr/lib/python2.6/optparse.pyc readline True /usr/lib/python2.6/lib-dynload/readline.so profile True /usr/lib/python2.6/profile.pyc bz2 True /usr/lib/python2.6/lib-dynload/bz2.so gzip True /usr/lib/python2.6/gzip.pyc os.devnull True /usr/lib/python2.6/os.pyc Compiled relax C modules: Relaxation curve fitting: False --------- Hugh On 6 March 2012 14:54, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:Oh, that's a recent change as well. There are a few changes in the main line which will require small changes to the relax input scripts. I have standardised the value.set and related user functions across the different analysis types. The 'bond_length' parameter needs to be replaced with 'r'. You might encounter a few of these: 'bond_length' -> 'r' 'heteronucleus' -> 'heteronuc_type' 'proton' -> 'proton_type' I think that's all you'll need to modify in the script, the rest should be internally handled within relax. As for the memory error, I have updated the relax information print out to show more details. Could you run 'svn up' and resend the output of 'relax -i'? Cheers, Edward On 6 March 2012 15:29, Hugh RW Dannatt <h.dannatt@xxxxxxxxxxxxxxx> wrote:Thanks for that, relax does now open properly. However, I now get the following error when trying to run the dauvergne_protocol.py script:- relax> relax_data.read(ri_id='NOE_600', ri_type='NOE', frq=600133000.0, file='noe_600', dir=None, spin_id_col=None, mol_name_col=None, res_num_col=1, res_name_col=None, spin_num_col=None, spin_name_col=None, data_col=3, error_col=4, sep=None, spin_id=None) Opening the file 'noe_600' for reading. relax> value.set(val=1.0200000000000001e-10, param='bond_length', spin_id=None) debug> Execution lock: Release by 'script UI' ('script' mode). Traceback (most recent call last): File "/home1/hugh/installs/relax-1.3/prompt/interpreter.py", line 383, in exec_script runpy.run_module(module, globals) File "/usr/lib/python2.6/runpy.py", line 140, in run_module fname, loader, pkg_name) File "/usr/lib/python2.6/runpy.py", line 34, in _run_code exec code in run_globals File "/home1/hugh/data/pgm298bq/relax/dauvergne_protocol.py", line 205, in <module> value.set(1.02 * 1e-10, 'bond_length') File "/home1/hugh/installs/relax-1.3/prompt/value.py", line 239, in set value.set(val=val, param=param, spin_id=spin_id) File "/home1/hugh/installs/relax-1.3/generic_fns/value.py", line 356, in set set_param_values(param=param, value=val, spin_id=spin_id, force=force) File "/home1/hugh/installs/relax-1.3/specific_fns/model_free/main.py", line 2316, in set_param_values raise RelaxError("The parameter '%s' is unknown." % mf_params[i]) RelaxError: RelaxError: The parameter 'bond_length' is unknown. Hugh On 6 March 2012 13:43, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:Ok, the message is taking longer than normal to appear. The float128 problem was a recent change in relax. I had just forgotten that float128 is absent from 32-bit numpy. So on your machine you have no access to such high precision values. This is only a problem if you do your own code and analysis development within relax, as no part of relax currently uses float128. Regards, Edward On 6 March 2012 14:34, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:Hi Hugh, Just quickly, I fixed the float128 import problem. See my commit message at https://mail.gna.org/public/relax-commits/2012-03/msg00025.html (you might have to wait a few min for the post to be archived and the link to work). Just type 'svn up' and the problem will be gone. I'll look at the other problem now. Regards, Edward On 6 March 2012 14:19, Hugh RW Dannatt <h.dannatt@xxxxxxxxxxxxxxx> wrote:Hi Edward, I have removed the suggested files from uni_processor.py and the error given is below:- Simulation 495 Simulation 496 Simulation 497 Simulation 498 Simulation 499 Simulation 500 debug> Execution lock: Release by 'script UI' ('script' mode). Traceback (most recent call last): File "/progs/Linux/bin/relax13", line 7, in <module> relax.start() File "/progs/relax-1.3.13/relax.py", line 100, in start processor.run() File "/progs/relax-1.3.13/multi/uni_processor.py", line 135, in run self.callback.init_master(self) File "/progs/relax-1.3.13/multi/processor.py", line 263, in default_init_master self.master.run() File "/progs/relax-1.3.13/relax.py", line 171, in run self.interpreter.run(self.script_file) File "/progs/relax-1.3.13/prompt/interpreter.py", line 300, in run return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, quit=self.__quit_flag, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error) File "/progs/relax-1.3.13/prompt/interpreter.py", line 610, in run_script return console.interact(intro, local, script_file, quit, show_script=show_script, raise_relax_error=raise_relax_error) File "/progs/relax-1.3.13/prompt/interpreter.py", line 495, in interact_script exec_script(script_file, local) File "/progs/relax-1.3.13/prompt/interpreter.py", line 383, in exec_script runpy.run_module(module, globals) File "/usr/lib/python2.6/runpy.py", line 140, in run_module fname, loader, pkg_name) File "/usr/lib/python2.6/runpy.py", line 34, in _run_code exec code in run_globals File "/home1/hugh/data/pgm298bq/relax/dauvergne_protocol.py", line 216, in <module> dAuvergne_protocol(pipe_name=name, diff_model=DIFF_MODEL, mf_models=MF_MODELS, local_tm_models=LOCAL_TM_MODELS, grid_inc=GRID_INC, min_algor=MIN_ALGOR, mc_sim_num=MC_NUM, conv_loop=CONV_LOOP) File "/progs/relax-1.3.13/auto_analyses/dauvergne_protocol.py", line 230, in __init__ status.exec_lock.release() MemoryError 3171.454u 7.344s 53:10.23 99.6% 0+0k 16400+0io 14pf+0w --------------- At the same time (as the computer hangs for hours each time I try to test this), I thought I would try to run the most up-to-date of relax, but this has proved problematic. We have installed subversion and downloaded the latest repository as you described. We then had to install "minfx" which was not required for the release version 1.3.13. Is this correct? After this, when trying to run relax, arg_check.py returns an error trying to import "float128" from numpy. It may be that we are running an old version, I will look into this this afternoon. Hugh On 6 March 2012 12:04, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:One other point is that I've recently been working on cleaning up, simplifying, and fixing a few IO stream bugs the multi-processor package in the 1.3 line of the relax repository since I tagged and released the 1.3.13 version. So there is a slight chance that I may accientally have fixed the problem already. But you'll need to check out the most up to date repository code with the subversion program to test this. Regards, Edward On 6 March 2012 12:58, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:Actually, looking the code, it appears as though the multi-processor error handling is failing. Which means that there are probably two bugs here. One is causing the program to fail, the second in the multi-processor error handling is causing the memory error, hiding the frist problem. Could you replace the run() function in multi/uni_processor.py code? The original code should be: def run(self): try: self.pre_run() self.callback.init_master(self) self.post_run() except Exception, e: self.callback.handle_exception(self, e) Could you replace it with: def run(self): self.pre_run() self.callback.init_master(self) self.post_run() and see what the error message is? If what I said above is correct, then this should uncover the first bug (which then triggers the second). By the way, how long does it take to test this problem? Cheers, Edward On 6 March 2012 12:49, Edward d'Auvergne <edward@xxxxxxxxxxxxx> wrote:Hi, Thank you for all the details. That really helps in narrowing down the bug! From all the info, the bug is without doubt within the multi-processor package. Cheers. If you have a little time, we can work together and fix this. The changes/fixes will go into the repository version, so you'll need a copy of that for testing. Do you have the subversion program installed? If so, you can obtain the most up to date copy from the repository by typing: $ svn co svn://svn.gna.org/svn/relax/1.3 relax-1.3 or if this doesn't work: $ svn co http://svn.gna.org/svn/relax/1.3 relax-1.3 If you already have a checked out copy, you can update to the newest copy by typing: $ svn up I'll look at the second bug you've identifed later. It would be appreciated if you created a second bug report for that problem too. I would not recommend reverting to earlier relax versions due to the number of bug fixes and other problems solved since then. This should not affect the model-free results, but the bugs could bite elsewhere. Hopefully I can fix this problem quickly. Cheers, Edward P. S. For reference, the bug report is https://gna.org/bugs/?19528. On 6 March 2012 12:18, Hugh RW Dannatt <h.dannatt@xxxxxxxxxxxxxxx> wrote:Hi Edward, Your description sounds very likely the cause of the problem, during the time where no output is being produced, the computer gets gradually more and more slow before finally giving up. The error is reproducible such that I have tried it on a couple of different machines and it has failed several times at the same stage. The error messages tend to vary a little, however. Here are another 2 of the outputs given when the program has failed (I should clarify all of these messages came from runs done on the same machine, and the second was run with option "-d" but it hasn't helped very much):- Simulation 492 Simulation 493 Simulation 494 Simulation 495 Simulation 496 Simulation 497 Simulation 498 Simulation 499 Simulation 500 Traceback (most recent call last): File "/usr/local/relax-1.3.13/multi/uni_processor.py", line 136, in run self.callback.init_master(self) File "/usr/local/relax-1.3.13/multi/processor.py", line 263, in default_init_m aster Traceback (most recent call last): File "/usr/local/bin/relax", line 7, in <module> relax.start() File "/usr/local/relax-1.3.13/relax.py", line 100, in start processor.run() File "/usr/local/relax-1.3.13/multi/uni_processor.py", line 139, in run self.callback.handle_exception(self, e) File "/usr/local/relax-1.3.13/multi/processor.py", line 250, in default_handle _exception traceback.print_exc(file=sys.stderr) File "/usr/lib/python2.6/traceback.py", line 227, in print_exc print_exception(etype, value, tb, limit, file) File "/usr/lib/python2.6/traceback.py", line 125, in print_exception print_tb(tb, limit, file) File "/usr/lib/python2.6/traceback.py", line 69, in print_tb line = linecache.getline(filename, lineno, f.f_globals) File "/usr/lib/python2.6/linecache.py", line 14, in getline lines = getlines(filename, module_globals) File "/usr/lib/python2.6/linecache.py", line 40, in getlines return updatecache(filename, module_globals) File "/usr/lib/python2.6/linecache.py", line 136, in updatecache lines = fp.readlines() MemoryError 9203.219u 258.488s 8:05:09.46 32.5% 0+0k 90962440+0io 2215895pf+0w ------------------ Simulation 489 Simulation 490 Simulation 491 Simulation 492 Simulation 493 Simulation 494 Simulation 495 Simulation 496 Simulation 497 Simulation 498 Simulation 499 Simulation 500 debug> Execution lock: Release by 'script UI' ('script' mode). debug> Execution lock: Release by 'script UI' ('script' mode). Traceback (most recent call last): File "/progs/Linux/bin/relax13", line 7, in <module> relax.start() File "/progs/relax-1.3.13/relax.py", line 100, in start processor.run() File "/progs/relax-1.3.13/multi/uni_processor.py", line 139, in run self.callback.handle_exception(self, e) File "/progs/relax-1.3.13/multi/processor.py", line 250, in default_handle_exc eption traceback.print_exc(file=sys.stderr) File "/usr/lib/python2.6/traceback.py", line 227, in print_exc print_exception(etype, value, tb, limit, file) MemoryError 8006.268u 542.873s 8:34:11.81 27.7% 0+0k 225824840+0io 6192344pf+0w ------------------ If the number of MC simulations is dropped even as little as 100, the program finishes the fitting successfully, though I then get an error message to do with the grace files (i've not been using them so I'm not bothered about this though it will be of interest to you no doubt):- Data pipe 'final': The ts value of 2.6285e-08 is greater than 1.9714e-08, elimi nating simulation 94 of spin system ':218@N'. Data pipe 'final': The ts value of 2.6285e-08 is greater than 1.9714e-08, elimi nating simulation 95 of spin system ':218@N'. relax> monte_carlo.error_analysis(prune=0.0) relax> results.write(file='results', dir='/ld10c/home1/hugh/data/pgm298bq/relax/ final', compress_type=1, force=True) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/results.bz2' for w riting. relax> grace.write(x_data_type='spin', y_data_type='s2', spin_id=None, plot_data ='value', file='s2.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grace' , force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/s2.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='s2f', spin_id=None, plot_dat a='value', file='s2f.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grac e', force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/s2f.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='s2s', spin_id=None, plot_dat a='value', file='s2s.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grac e', force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/s2s.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='te', spin_id=None, plot_data ='value', file='te.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grace' , force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/te.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='tf', spin_id=None, plot_data ='value', file='tf.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grace' , force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/tf.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='ts', spin_id=None, plot_data ='value', file='ts.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grace' , force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/ts.agr' for writing. relax> grace.write(x_data_type='spin', y_data_type='rex', spin_id=None, plot_dat a='value', file='rex.agr', dir='/ld10c/home1/hugh/data/pgm298bq/relax/final/grac e', force=True, norm=False) Opening the file '/ld10c/home1/hugh/data/pgm298bq/relax/final/grace/rex.agr' for writing. debug> Execution lock: Release by 'script UI' ('script' mode). debug> Execution lock: Release by 'script UI' ('script' mode). Traceback (most recent call last): File "/ld10c/progs/relax-1.3.13/prompt/interpreter.py", line 383, in exec_scri pt runpy.run_module(module, globals) File "/usr/lib/python2.6/runpy.py", line 140, in run_module fname, loader, pkg_name) File "/usr/lib/python2.6/runpy.py", line 34, in _run_code exec code in run_globals File "/ld10c/home1/hugh/data/pgm298bq/relax/dauvergne_protocol_lessMC.py", lin e 216, in <module> dAuvergne_protocol(pipe_name=name, diff_model=DIFF_MODEL, mf_models=MF_MODEL S, local_tm_models=LOCAL_TM_MODELS, grid_inc=GRID_INC, min_algor=MIN_ALGOR, mc_s im_num=MC_NUM, conv_loop=CONV_LOOP) File "/ld10c/progs/relax-1.3.13/auto_analyses/dauvergne_protocol.py", line 223 , in __init__ self.execute() File "/ld10c/progs/relax-1.3.13/auto_analyses/dauvergne_protocol.py", line 710 , in execute self.write_results() File "/ld10c/progs/relax-1.3.13/auto_analyses/dauvergne_protocol.py", line 837 , in write_results self.interpreter.grace.write(x_data_type='spin', y_data_type='rex', file='re x.agr', dir=dir, force=True) File "/ld10c/progs/relax-1.3.13/prompt/grace.py", line 103, in write grace.write(x_data_type=x_data_type, y_data_type=y_data_type, spin_id=spin_i d, plot_data=plot_data, file=file, dir=dir, force=force, norm=norm) File "/ld10c/progs/relax-1.3.13/generic_fns/grace.py", line 366, in write write_xy_header(sets=len(data[0]), file=file, data_type=[x_data_type, y_data _type], seq_type=seq_type, set_names=set_names, norm=norm) File "/ld10c/progs/relax-1.3.13/generic_fns/grace.py", line 600, in write_xy_h eader units = return_units(data_type[i]) File "/ld10c/progs/relax-1.3.13/specific_fns/model_free/main.py", line 2394, i n return_units raise RelaxNoSpinSpecError RelaxNoSpinSpecError: RelaxError: The spin system must be specified. 3510.479u 20.741s 59:07.76 99.5% 0+0k 0+3368io 0pf+0w ------------------ Finally, this is the output from relax --info as requested:- relax 1.3.13 Molecular dynamics by NMR data analysis Copyright (C) 2001-2006 Edward d'Auvergne Copyright (C) 2006-2011 the relax development team This is free software which you are welcome to modify and redistribute under the conditions of the GNU General Public License (GPL). This program, including all modules, is licensed under the GPL and comes with absolutely no warranty. For details type 'GPL' within the relax prompt. Assistance in using the relax prompt and scripting interface can be accessed by typing 'help' within the prompt. Processor fabric: Uni-processor. Hardware information: Machine: i686 Processor: System information: System: Linux Release: 2.6.32-37-generic Version: #81-Ubuntu SMP Fri Dec 2 20:35:14 UTC 2011 GNU/Linux version: Ubuntu 10.04 lucid Distribution: Ubuntu 10.04 lucid Full platform string: Linux-2.6.32-37-generic-i686-with-Ubuntu-10.04-lucid Software information: Architecture: 32bit ELF Python version: 2.6.5 Python branch: tags/r265 Python build: r265:79063, Apr 16 2010 13:09:56 Python compiler: GCC 4.4.3 Python implementation: CPython Python revision: 79063 Numpy version: 1.3.0 Libc version: glibc 2.4 Python packages (most are optional): Package Installed Version Path minfx True Unknown /ld10c/progs/relax-1.3.13/minfx bmrblib True Unknown /ld10c/progs/relax-1.3.13/bmrblib numpy True 1.3.0 /usr/lib/python2.6/dist-packages/numpy scipy True 0.7.0 /usr/lib/python2.6/dist-packages/scipy wxPython False mpi4py False epydoc False optparse True 1.5.3 /usr/lib/python2.6/optparse.pyc readline True /usr/lib/python2.6/lib-dynload/readline.so profile True /usr/lib/python2.6/profile.pyc bz2 True /usr/lib/python2.6/lib-dynload/bz2.so gzip True /usr/lib/python2.6/gzip.pyc os.devnull True /usr/lib/python2.6/os.pyc Compiled relax C modules: Relaxation curve fitting: True ------------------ Apologies for all the detail but I'm not really sure what to do here. If it is the multi-processor part of it that is failing, is installing relax 1.3.11 an option? I previously has 1.3.10 installed and the commands seem to have changed quite a lot since then. What is your opinion on the validity of error estimates based on 100 simulations? Thanks Hugh On 5 March 2012 08:33, Edward d'Auvergne <edward.dauvergne@xxxxxxxxx> wrote:Hi Hugh, I'm pretty sure this error has not been encountered before. It at least hasn't been reported. I've never seen anything close to this before, but I would guess that this is an infinitely recursive exception (the error is being caught but, in the process, the error occurs again, being caught a second time, then the 3rd error occurs, is caught a 3rd time, with this continuing until your computer runs out of RAM and swap space and relax is killed by the operating system). The error seems to occur within the error handing portion of Gary Thompson's multi-processor framework (you are using the uni-processor fabric of the framework here), so maybe Gary might know a solution? Is this error reproducible? For testing, can you drop the number of Monte Carlo simulations down to say 5? Running relax with the debug flag might also help: $ relax --debug or: $ relax -d Are you using the GUI or scripting user interface? The output of: $ relax --info might also be useful. As for your data set being too large, relax has been used on much bigger systems before so this should not be an issue. One last thing, would you be able to create a bug report for this error (https://gna.org/bugs/?func=additem&group=relax)? All of the info/log files can then be pasted/attached there, and it is a useful future reference for anyone who encounters the same or a similar bug. Cheers, Edward On 2 March 2012 12:33, Hugh RW Dannatt <h.dannatt@xxxxxxxxxxxxxxx> wrote:Dear All, Having completed the fitting of 1 dataset without any problems, I am now moving onto another. Everything has worked fine until I change the DIFF_MODEL to "final" and try to run the program again to get error estimates on my fitted parameters. The program successfully re-opens all the results file and selects the diffusion model. Then all 500 simulations are done without issue, but as soon as the program has finished this, it stops outputting anything to the screen for a long time (>12 hrs). During this time, the CPU and Memory use is very high and the computer runs slowly. Eventually I get a "Memory Error" and a whole load of messages outputted to the screen, which I have pasted below. I should emphasize that all the stages of running this program with different diffusion models have run fine, and the computer I'm using is a relatively fast machine (dual core Pentium 4, 2 GB RAM). Has anyone had a similar problem? This dataset is larger than the previous one which fit without issue (current one has 6 measurements per 176 residues), but I can't imagine this being the cause of this problem. Thanks Hugh ---- Simulation 485 Simulation 486 Simulation 487 Simulation 488 Simulation 489 Simulation 490 Simulation 491 Simulation 492 Simulation 493 Simulation 494 Simulation 495 Simulation 496 Simulation 497 Simulation 498 Simulation 499 Simulation 500 Traceback (most recent call last): File "/progs/relax-1.3.13/multi/uni_processor.py", line 136, in run self.callback.init_master(self) File "/progs/relax-1.3.13/multi/processor.py", line 263, in default_init_master self.master.run() File "/progs/relax-1.3.13/relax.py", line 171, in run self.interpreter.run(self.script_file) File "/progs/relax-1.3.13/prompt/interpreter.py", line 300, in run return run_script(intro=self.__intro_string, local=locals(), script_file=script_file, quit=self.__quit_flag, show_script=self.__show_script, raise_relax_error=self.__raise_relax_error) File "/progs/relax-1.3.13/prompt/interpreter.py", line 610, in run_script return console.interact(intro, local, script_file, quit, show_script=show_script, raise_relax_error=raise_relax_error) File "/progs/relax-1.3.13/prompt/interpreter.py", line 495, in interact_script exec_script(script_file, local) File "/progs/relax-1.3.13/prompt/interpreter.py", line 383, in exec_script runpy.run_module(module, globals) File "/usr/lib/python2.6/runpy.py", line 140, in run_module fname, loader, pkg_name) File "/usr/lib/python2.6/runpy.py", line 34, in _run_code exec code in run_globals File "/home1/hugh/data/pgm298bq/relax/dauvergne_protocol.py", line 216, in <module> dAuvergne_protocol(pipe_name=name, diff_model=DIFF_MODEL, mf_models=MF_MODELS, local_tm_models=LOCAL_TM_MODELS, grid_inc=GRID_INC, min_algor=MIN_ALGOR, mc_sim_num=MC_NUM, conv_loop=CONV_LOOP) File "/progs/relax-1.3.13/auto_analyses/dauvergne_protocol.py", line 223, in __init__ Traceback (most recent call last): File "/progs/Linux/bin/relax13", line 7, in <module> relax.start() File "/progs/relax-1.3.13/relax.py", line 100, in start processor.run() File "/progs/relax-1.3.13/multi/uni_processor.py", line 139, in run self.callback.handle_exception(self, e) File "/progs/relax-1.3.13/multi/processor.py", line 250, in default_handle_exception traceback.print_exc(file=sys.stderr) File "/usr/lib/python2.6/traceback.py", line 227, in print_exc print_exception(etype, value, tb, limit, file) File "/usr/lib/python2.6/traceback.py", line 125, in print_exception print_tb(tb, limit, file) File "/usr/lib/python2.6/traceback.py", line 69, in print_tb line = linecache.getline(filename, lineno, f.f_globals) File "/usr/lib/python2.6/linecache.py", line 14, in getline lines = getlines(filename, module_globals) File "/usr/lib/python2.6/linecache.py", line 40, in getlines return updatecache(filename, module_globals) File "/usr/lib/python2.6/linecache.py", line 136, in updatecache lines = fp.readlines() MemoryError 9078.655u 666.933s 10:55:29.66 24.7% 0+0k 241482000+0io 6665721pf+0w _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list relax-users@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users-- Hugh Dannatt PhD Student Researcher Prof. Jon Waltho Lab Department of Molecular Biology & Biotechnology University of Sheffield Firth Court Western Bank Sheffield S10 2TN 0114 222 2729-- Hugh Dannatt PhD Student Researcher Prof. Jon Waltho Lab Department of Molecular Biology & Biotechnology University of Sheffield Firth Court Western Bank Sheffield S10 2TN 0114 222 2729-- Hugh Dannatt PhD Student Researcher Prof. Jon Waltho Lab Department of Molecular Biology & Biotechnology University of Sheffield Firth Court Western Bank Sheffield S10 2TN 0114 222 2729 _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list relax-users@xxxxxxx To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users-- Hugh Dannatt PhD Student Researcher Prof. Jon Waltho Lab Department of Molecular Biology & Biotechnology University of Sheffield Firth Court Western Bank Sheffield S10 2TN 0114 222 2729
-- Hugh Dannatt PhD Student Researcher Prof. Jon Waltho Lab Department of Molecular Biology & Biotechnology University of Sheffield Firth Court Western Bank Sheffield S10 2TN 0114 222 2729