[molpro-user] "control_cb (pm/pmiserv/pmiserv_cb.c:200): assert (!closed) failed" error

[Mallikarjun Karra]

Hello

I'm trying to run molpro on a cluster (Rocks 6.1.1 (Sand Boa)).

While, it runs some times, I get the following error using openmpi, most of
the times.

[mpiexec at node-0-25.local] control_cb (pm/pmiserv/pmiserv_cb.c:200): assert
(!closed) failed
[mpiexec at node-0-25.local] HYDT_dmxu_poll_wait_for_event
(tools/demux/demux_poll.c:76): callback returned error status
[mpiexec at node-0-25.local] HYD_pmci_wait_for_completion
(pm/pmiserv/pmiserv_pmci.c:198): error waiting for event
[mpiexec at node-0-25.local] main (ui/mpich/mpiexec.c:344): process manager
error waiting for completion

Following is a part of my submit script:
#$ -v MPIR_HOME=/share/apps/openmpi/bin
#$ -V
#$ -pe orte 10

# for orca NUMPROC must be aligned to "%pal nprocs 400 end" in input file
# and to the above statement -pe orte xxx
set NUMPROC=10

# use single threaded processes with open mpi
set OMP_NUM_THREADS=1
# only ssh is supported on our cluster
set RSH_COMMAND=ssh

Any suggestions regarding setting options while executing molpro (or
otherwise) would be welcome.

Thanks in anticipation,


Mallikarjun
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