Hi. I'm trying to use nwchem 7.0.2 with default ga-5.7.2, running under intel oneapi mpi(2021.4.0). At first it worked just fine, but when I run parallel jobs at a time, some jobs will be terminated with an error:
nwchem: ../../ga-5.7.2/comex/src-mpi/comex.c:215: _mq_test: Assertion 'MPI_SUCCESS == rc' failed. forrtl: error (76): Abort trap signal
I've tried several ways including changing job name or in seperate terminals, but none of them seems to work. Shall I change to a newer ga, or just I got some other things wrong?
Hi. I'm trying to use nwchem 7.0.2 with default ga-5.7.2, running under intel oneapi mpi(2021.4.0). At first it worked just fine, but when I run parallel jobs at a time, some jobs will be terminated with an error:
nwchem: ../../ga-5.7.2/comex/src-mpi/comex.c:215: _mq_test: Assertion 'MPI_SUCCESS == rc' failed.
forrtl: error (76): Abort trap signal
I've tried several ways including changing job name or in seperate terminals, but none of them seems to work. Shall I change to a newer ga, or just I got some other things wrong?