Re: [ESPResSo-users] activate magnetostatics method DipolarDirectSumCpu

[ricky]

Dear all,

I have found that when I use the following codes

    direct_sum = DipolarDirectSumCpu(prefactor=15)

    system.actors.add(direct_sum)

    print(direct_sum)

I can get the true prefactor(15). But the same problem as the last mail, that when I used the mpi version of command, it told me that "Could not activate magnetostatics method DipolarDirectSumCpu" from the console.

It's appreciate for your help!

Regards!

Ricky

	ricky
address@hidden

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On 5/7/2019 22:49，ricky<address@hidden> wrote：

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！