Hi there!
I am testing the latest GAMESS release (30 June 2020 R1) with Intel Parallel Studio 2020.1.217 and OpenMPI 4.0.2 on Ubuntu 18.04LTS linux64 platform. I have tested so far the standard MPI and hybrid MPIOMP implementations. All but one test pass verification. The exception is
efp-mpiomp/makeefp/efmo_grad.inp
First of all, the reference data file efmo_grad.json has not been corrected. The patching would be
Hi there! I am testing the latest GAMESS release (30 June 2020 R1) with Intel Parallel Studio 2020.1.217 and OpenMPI 4.0.2 on Ubuntu 18.04LTS linux64 platform. I have tested so far the standard MPI and hybrid MPIOMP implementations. All but one test pass verification. The exception is
efp-mpiomp/makeefp/efmo_grad.inp
First of all, the reference data file efmo_grad.json has not been corrected. The patching would be
Secondly, the default memory setting of MWORDS=1 seems to be not enough for the test with the new release default memory footprint.
MWORDS=2 does work.
Kind regards, Ivan Rostov NCI Australia, Canberra.