============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd cnstph_remd/pHREM && ./Run.pHremd Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 4 diffing mdout.pH2.save with mdout.pH2 possible FAILURE: (ignored) check mdout.pH2.dif ============================================================== ============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd cnstph_remd/pHREMrst && ./Run.pHremdrst Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 4 diffing mdout.pH2.save with mdout.pH2 possible FAILURE: (ignored) check mdout.pH2.dif ============================================================== ============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd cnste_remd/EREM && ./Run.Eremd Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 4 diffing mdout.E0.90.save with mdout.E0.90 possible FAILURE: (ignored) check mdout.E0.90.dif ============================================================== ============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd cnste_remd/EREMrst && ./Run.Eremdrst Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 4 diffing mdout.E0.84.save with mdout.E0.84 possible FAILURE: (ignored) check mdout.E0.84.dif ============================================================== ============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd phtremd/implicit && ./Run.phtremd Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 4 diffing rem.log.1.pmemd.save with rem.log.1 PASSED ============================================================== diffing rem.log.2.save with rem.log.2 PASSED ============================================================== diffing mdout.rep.001.save with mdout.rep.001 possible FAILURE: check mdout.rep.001.dif ============================================================== ============================================================== export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd ephtremd/implicit && ./Run.ephtremd This test case requires 16 MPI threads! export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd ephtremd/explicit && ./Run.ephtremd This test case requires 16 MPI threads! export TESTsander='/home/owner/amber18/bin/pmemd.MPI'; cd phmd_remd/implicit/ && ./Run.phmdremd Running multipmemd version of pmemd Amber18 Total processors = 8 Number of groups = 2 diffing rep-1.mdout.save with rep-1.mdout possible FAILURE: check rep-1.mdout.dif ============================================================== diffing rep-1.lam.save with rep-1.lam possible FAILURE: check rep-1.lam.dif ============================================================== diffing rem.log.save with rem.log possible FAILURE: check rem.log.dif ==============================================================