| 9:54:02 AM PDT - Mon, Aug 1st 2016 |
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We are trying to get NWChem 6.6 working with fully patched 64 bit Centos 7.2 systems, but are having some trouble. It compiles and links cleanly, but seg faults and crashes immediately upon running.
If compiled against OpenMPI, we see:
/usr/lib64/openmpi/bin/mpiexec
mpiexec noticed that process rank 0 with PID 8294 on node moose16 exited on signal 11 (Segmentation fault).
Against MPICH:
/usr/lib64/mpich/bin/mpiexec
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
Program received signal SIGILL: Illegal instruction.
Program received signal SIGILL: Illegal instruction.
Backtrace for this error:
Backtrace for this error:
- 0 0x2B2E96996467
- 0 0x2AAE50407467
- 0 0x2ADE4D748467
- 0 0x2B32B1BBB467
- 1 0x2ADE4D748AAE
- 1 0x2AAE50407AAE
- 1 0x2B2E96996AAE
- 1 0x2B32B1BBBAAE
- 2 0x2B2E9782F66F
- 2 0x2B32B2A5466F
- 2 0x2ADE4E5E166F
- 2 0x2AAE512A066F
- 3 0x2E6F972 in mxinit_ at mxsubs.F:118
- 3 0x2E6F972 in mxinit_ at mxsubs.F:118
- 3 0x2E6F972 in mxinit_ at mxsubs.F:118
- 3 0x2E6F972 in mxinit_ at mxsubs.F:118
- 4 0x4F49C2 in nwchem at nwchem.F:89
- 4 0x4F49C2 in nwchem at nwchem.F:89
- 4 0x4F49C2 in nwchem at nwchem.F:89
- 4 0x4F49C2 in nwchem at nwchem.F:89
=======================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 132
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
=======================================================================
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Illegal instruction (signal 4)
This typically refers to a problem with your application.
We have tried applying the NWChem patches available on the download page, including the latest ones for Fedora 24, but no joy.
Any hints would be appreciated, thanks!
-Dj
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