<div dir="ltr">Hi everyone,<div><br></div><div>Can CP2K regression test run on multiple-GPU or what configuration I used is incorrect?</div><div><br></div><div>"local_cuda.psmp.conf" is as follow.<br></div><div><div>export FORT_C_NAME=local_cuda</div><div>dir_base=$PWD</div><div>cp2k_version=psmp</div><div>dir_triplet=${FORT_C_NAME}</div><div>export ARCH=${dir_triplet}</div><div>cp2k_dir=../cp2k</div><div><br></div><div>numprocs=4</div><div>numthreads=2</div><div>maxtasks=8</div><div><br></div><div>leakcheck="NO"</div><div>default_err_tolerance="1.0E-14"</div><div>cp2k_run_prefix="mpirun -np ${numprocs}"</div><div>job_max_time="900"</div></div><div><div><br></div></div><div>Failed tests are as follow.</div><div><ol><li>libcp2k_unittest                </li><li>ice.inp                         </li><li>H2O-qmmm-none-force-mixing-1.inp</li><li>RI_MP2_H2O_NONORTHO_MME.inp     </li><li>farming-1.inp                   </li><li>N3_dp_md.inp                    </li><li>farming.inp                     </li><li>dbcsr_types_01.inp              </li><li>farming-1.inp                   </li><li>farming-2.inp                   </li><li>farming-3.inp                   </li><li>farming-4.inp                   </li><li>farming-5.inp                   </li><li>farming-6.inp                   </li><li>farming-7.inp                   </li><li>farming-8.inp                   </li><li>farming-9.inp</li></ol><div>The partial log of regression output.</div></div><div><br></div><div><div>*************************** testing started ******************************</div><div> started on  Thu Dec 5 00:28:56 CST 2019</div><div> configuration: local_cuda-psmp</div><div> regtesting location summary file: /home/result/regress-4-2-8/TEST-local_cuda-psmp-2019-12-05_00-28-56/summary.txt</div><div> regtesting location error_summary file: /home/result/regress-4-2-8/TEST-local_cuda-psmp-2019-12-05_00-28-56/error_summary</div><div> regtesting location memory_summary file: /home/result/regress-4-2-8/TEST-local_cuda-psmp-2019-12-05_00-28-56/memory_summary</div><div> regtesting location output dir: /home/result/regress-4-2-8/TEST-local_cuda-psmp-2019-12-05_00-28-56</div><div> regtesting location last dir: /home/result/regress-4-2-8/LAST-local_cuda-psmp</div><div>---------------------------- Settings ------------------------------------</div><div>maxtasks         = 8</div><div>numprocs         = 4</div><div>OMP_NUM_THREADS  = 2</div><div>cp2k_run_prefix  = mpirun -np 4</div><div>cp2k_run_postfix =</div><div>cp2k_prefix      = mpirun -np 4 /home/result/regress-4-2-8/../cp2k/exe/local_cuda/cp2k.psmp</div><div>cp2k_postfix     =</div><div>cp2k_version     = psmp</div><div>dir_triplet      = local_cuda</div><div>job_max_time     = 900</div><div>leakcheck        = NO</div><div>doretest         = no</div><div>nobuild          = nobuild</div><div>quick            = quick</div><div>noreset          = reset</div><div>shard            = 1 / 1</div><div>skiptest         = noskiptest</div><div>do_unit_test     = yes</div><div>farming          = no</div><div>maxbuildtasks    = 8</div></div><div><br></div><div>Thanks,</div><div>Vitesse.</div></div>