Dear all espressomd users,
I wanted to add the dipolar interactions to my simulation then I followed the manual and used the below code
dd1 = DipolarDirectSumCpu(prefactor=15)
print(dd1)
system.actors.add(dd1)
When I executed the
./pypresso test.py
The system can activate the actor. But when I use the
mpirun -n 32 ./pypresso test.py
I got the following error:
Traceback (most recent call last):
File "test.py", line 27, in <module>
system.actors.add(dd1)
File "espressomd/actors.pyx", line 186, in espressomd.actors.Actors.add (/home/zhrq/Downloads/espresso/build2/src/python/espressomd/actors.cpp:5237)
File "espressomd/actors.pyx", line 49, in espressomd.actors.Actor._activate (/home/zhrq/Downloads/espresso/build2/src/python/espressomd/actors.cpp:2009)
File "espressomd/magnetostatics.pyx", line 268, in espressomd.magnetostatics.DipolarDirectSumCpu._activate_method (/home/zhrq/Downloads/espresso/build2/src/python/espressomd/magnetostatics.cpp:4859)
File "espressomd/magnetostatics.pyx", line 274, in espressomd.magnetostatics.DipolarDirectSumCpu._set_params_in_es_core (/home/zhrq/Downloads/espresso/build2/src/python/espressomd/magnetostatics.cpp:5003)
Exception: Could not activate magnetostatics method DipolarDirectSumCpu
-------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[7030,1],0]
Exit code: 1
--------------------------------------------------------------------------
What's more, I have an additional question that is I set the prefactor is 15, but what I got from is print(dd1)
DipolarDirectSumCpu({'prefactor': 0.0})
The version of espresso is 4.0.2 and the features I have are
['BOND_ANGLE',
'BOND_ANGLEDIST', 'BOND_ANGLEDIST_HARMONIC', 'BOND_CONSTRAINT', 'DIPOLES',
'DP3M', 'EXCLUSIONS', 'EXTERNAL_FORCES', 'FFTW', 'GSL', 'H5MD',
'LANGEVIN_PER_PARTICLE', 'LENNARD_JONES', 'LJ_WARN_WHEN_CLOSE', 'MASS', 'NPT',
'PARTIAL_PERIODIC', 'PARTICLE_ANISOTROPY', 'ROTATION', 'ROTATIONAL_INERTIA',
'TABULATED', 'VIRTUAL_SITES', 'VIRTUAL_SITES_RELATIVE']
I'm really need your help, Thanks!
Regards！