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[ESPResSo-users] Running in Parallel.

From: Rhys Goodall
Subject: [ESPResSo-users] Running in Parallel.
Date: Tue, 23 Jan 2018 15:11:44 +0000
User-agent: Roundcube Webmail/1.0.12


I've made a remote install of Espresso on a centrally managed system, after many trials and tribulation we've managed to configure the right environment to get it to compile. However when I run the same python script that i've tested locally (also in parallel) I get an error saying:

Executing command:
mpirun -npernode 2 -np 2 /home/reag2/espresso2/build/pypresso ~/

An MPI process has executed an operation involving a call to the
"fork()" system call to create a child process.  Open MPI is currently
operating in a condition that could result in memory corruption or
other system errors; your MPI job may hang, crash, or produce silent
data corruption.  The use of fork() (or system() or other calls that
create child processes) is strongly discouraged.

The process that invoked fork was:

  Local host:          cpu-e-50 (PID 440257)
  MPI_COMM_WORLD rank: 0

If you are *absolutely sure* that your application will successfully
and correctly survive a call to fork(), you may disable this warning
by setting the mpi_warn_on_fork MCA parameter to 0.
Traceback (most recent call last):
  File "/home/reag2/", line 78, in <module>
AttributeError: 'espressomd.interactions.NonBondedInteractions' object has no attribute 'set_force_cap'
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: [[46228,1],0]
  Exit code:    1

Has anyone experienced a similar issue and can point me in the right direction to resolve it?


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