Failed regression tests

StreamHPC / gromacs

OpenCL porting of the GROMACS molecular simulation toolkit

http://www.gromacs.org

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Failed regression tests #53

Closed sharpneli closed 9 years ago

sharpneli commented 9 years ago

13 out of 39 regression tests under Complex subcategory fail when using OpenCL. The tests are following:

nbnxn-free-energy nbnxn-ljpme-geometric nbnxn-ljpme-LB nbnxn-ljpme-LB-geometric nbnxn-vdw-force-switch nbnxn-vdw-potential-switch nbnxn_pme nbnxn_pme_order5 nbnxn_pme_order6 nbnxn_vsite swap_x swap_y swap_z

ancahamuraru commented 9 years ago

Update:

simple tests: all 16 tests PASSED
rotation tests: all 12 tests PASSED
pdb2gmx tests: all 42 tests PASSED
kernel tests: all 142 tests PASSED
freeenergy tests: all 10 tests PASSED
complex tests: 2 out of 40 tests FAILED: nbnxn-ljpme-LB and nbnxn_vsite

ancahamuraru commented 9 years ago

Update:

simple tests: all 16 tests PASSED rotation tests: all 12 tests PASSED pdb2gmx tests: all 42 tests PASSED kernel tests: all 142 tests PASSED freeenergy tests: all 10 tests PASSED complex tests: 1 out of 40 tests FAILED The test that fails is nbnxn_vsite. This is caused by a problem with the value from complex/nbnxn_vsite/max_mpi_processes file. This value is 6. After setting it to 1 this test also passes.