I'm running into a GAMESS error almost immediately after starting a calculation. The below is the end of the GAMESS log file:
0:Segmentation Violation error, status=: 11
(rank:0 hostname:5646e4008406 pid:2148):ARMCI DASSERT fail. src/common/signaltrap.c:SigSegvHandler():309 cond:0
and the below is written to the terminal:
application called MPI_Abort(comm=0x84000001, 11) - process 0
I first thought this was a problem with my GAMESS/MPI setup, but I have tried running another similarly-sized GAMESS input and found it works, so my GAMESS setup and MPI should be fine. Searching suggests that this is a memory problem. I have tried:
- playing around with ARMCI_DEFAULT_SHMMAX as per this post: https://nwchemgit.github.io/Special_AWCforum/st/id2686/ARMCI_DASSERT_fail.html, without making any progress.
- making the calculation itself smaller by swapping from MP2 to Hartree-Fock (some GAMESS methods need special compiler flags when compiling GAMESS to use, though standard MP2 shouldn't be one of them) and a smaller basis set, again without success.
- altering the memory allowed for the GAMESS calculation in the $SYSTEM MEMORY section of the input.
What am I missing?