Hello, I have been trying to use Votca XTP with orca on a hpc cluster but have encountered issues when trying to work in parallel as I encounter the following errors:
/apps/orca/4.2.0_openmpi/static/orca_gtoint_mpi: error while loading shared libraries: libopen-rte.so.20: cannot open shared object file: No such file or directory /apps/orca/4.2.0_openmpi/static/orca_gtoint_mpi: error while loading shared libraries: libopen-rte.so.20: cannot open shared object file: No such file or directory -------------------------------------------------------------------------- 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: [[6503,1],0] Exit code: 127 -------------------------------------------------------------------------- [file orca_tools/qcmsg.cpp, line 458]: .... aborting the run This error does not occur when only using 1 thread. This also occurs even when exporting the correct library and path. This does not occur when running orca separately -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CALKNByGT6kz%3DKSQjz5x%2BFKGHrRbu54WFxi1uAxg%2BB3-yXQDqKg%40mail.gmail.com.
