Author: bugman
Date: Wed Oct 15 23:09:28 2008
New Revision: 7724
URL: http://svn.gna.org/viewcvs/relax?rev=7724&view=rev
Log:
Manually ported r3251 from the multi_processor branch.
The 2 commands used were:
svn merge -r3250:3251
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/multi_processor .
svn merge -r3250:3251
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/branches/multi_processor/specific_fns/model_free.py
specific_fns/model_free/mf_minimise.py
.....
r3251 | varioustoxins | 2007-03-30 09:53:32 +0200 (Fri, 30 Mar 2007) | 2
lines
Changed paths:
M /branches/multi_processor/multi/commands.py
M /branches/multi_processor/multi/mpi4py_processor.py
M /branches/multi_processor/specific_fns/model_free.py
MF class name fixes also now works on python 2.3.3
.....
Modified:
branches/multi_processor_merge/multi/commands.py
branches/multi_processor_merge/multi/mpi4py_processor.py
branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
Modified: branches/multi_processor_merge/multi/commands.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/multi/commands.py?rev=7724&r1=7723&r2=7724&view=diff
==============================================================================
--- branches/multi_processor_merge/multi/commands.py (original)
+++ branches/multi_processor_merge/multi/commands.py Wed Oct 15 23:09:28 2008
@@ -28,6 +28,7 @@
#not quite a momento so a memo
class MF_memo(Memo):
def __init__(self,model_free,index,sim_index,run,param_set,scaling):
+ super(MF_memo,self).__init__()
self.index = index
self.sim_index=sim_index
self.run=run
@@ -38,7 +39,7 @@
class MF_result_command(Result_command):
def __init__(self,memo_id,param_vector, func, iter, fc, gc, hc, warning):
-
super(MF_completion_command,self).__init__(completed=True,memo_id=memo_id)
+
super(MF_result_command,self).__init__(completed=True,memo_id=memo_id)
self.memo_id=memo_id
self.param_vector=param_vector
self.func=func
@@ -82,7 +83,9 @@
self.info_map={'res_id':None,'grid_size':1}
#FIXME: bad names
def set_mf(self, **kwargs):
- self.mf_map.update(**kwargs)
+ # note the creation of a dict prevents a bug in python 2.3.3 where
+ # it complains update doesn't take keywords
+ self.mf_map.update(dict(**kwargs))
def set_minimise(self,**kwargs):
@@ -93,7 +96,9 @@
if 'grid_size' in kwargs:
self.info_map['grid_size']= kwargs['grid_size']
del kwargs['grid_size']
- self.minimise_map.update(**kwargs)
+ # note the creation of a dict prevents a bug in python 2.3.3 where
+ # it complains update doesn't take keywords
+ self.minimise_map.update(dict(**kwargs))
def build_mf(self):
return Mf(**self.mf_map)
@@ -135,5 +140,5 @@
results = generic_minimise(func=self.mf.func, dfunc=self.mf.dfunc,
d2func=self.mf.d2func, **self.minimise_map)
param_vector, func, iter, fc, gc, hc, warning = results
-
processor.return_object(MF_completion_command(self.memo_id,param_vector,
func, iter, fc, gc, hc, warning))
+ processor.return_object(MF_result_command(self.memo_id,param_vector,
func, iter, fc, gc, hc, warning))
Modified: branches/multi_processor_merge/multi/mpi4py_processor.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/multi/mpi4py_processor.py?rev=7724&r1=7723&r2=7724&view=diff
==============================================================================
--- branches/multi_processor_merge/multi/mpi4py_processor.py (original)
+++ branches/multi_processor_merge/multi/mpi4py_processor.py Wed Oct 15
23:09:28 2008
@@ -169,18 +169,26 @@
raise Exception(message)
+ def pre_run(self):
+ self.start_time = time.time()
+
+ def post_run(self):
+ end_time = time.time()
+ time_diff= end_time - start_time
+ time_delta = datetime.timedelta(seconds=time_diff)
+ time_delta_str = time_delta.__str__()
+ (time_delta_str,millis) = time_delta_str.rsplit(sep='.',maxsplit=1)
+ print 'overall runtime: ' + time_delta_str + '\n'
+
def run(self):
if MPI.rank ==0:
- start_time = time.time()
+ self.pre_run()
self.relax_instance.run()
- end_time = time.time()
- time_diff= end_time - start_time
- time_delta = datetime.timedelta(seconds=time_diff)
- print 'overall runtime: ' + time_delta.__str__() + '\n'
+ self.post_run()
# note this a modified exit that kills all MPI processors
sys.exit()
Modified:
branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py?rev=7724&r1=7723&r2=7724&view=diff
==============================================================================
--- branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py
(original)
+++ branches/multi_processor_merge/specific_fns/model_free/mf_minimise.py Wed
Oct 15 23:09:28 2008
@@ -35,7 +35,7 @@
from generic_fns.mol_res_spin import count_spins, exists_mol_res_spin_data,
return_spin_from_index, spin_loop
from maths_fns.mf import Mf
from minfx.generic import generic_minimise
-from multi.commands import MF_minimise_command,MF_completion_memo
+from multi.commands import MF_minimise_command,MF_memo
from physical_constants import h_bar, mu0, return_gyromagnetic_ratio
from relax_errors import RelaxError, RelaxInfError, RelaxLenError,
RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, RelaxNoResError,
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError,
RelaxNoVectorsError, RelaxNucleusError, RelaxProtonTypeError,
RelaxSpinTypeError
@@ -993,7 +993,7 @@
# Disassemble the results.
if results == None:
continue
- memo =
MF_completion_memo(model_free=self,index=index,sim_index=sim_index,run=self.run,param_set=self.param_set,scaling=scaling)
+ memo =
MF_memo(model_free=self,index=index,sim_index=sim_index,run=self.run,param_set=self.param_set,scaling=scaling)
self.relax.processor.add_to_queue(command,memo)
r7724 - in /branches/multi_processor_merge: multi/commands.py multi/mpi4py_processor.py specific_fns/model_free/mf_minimise.py