From 8a82a631896b6836d51fc017ea1845c6cb2dd78f Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 8 Jun 2020 00:32:04 +0200 Subject: [PATCH] ctest dock fgproc=2 --- source/unres-dock/CMakeLists.txt | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/source/unres-dock/CMakeLists.txt b/source/unres-dock/CMakeLists.txt index 6e9c142..ca2723f 100644 --- a/source/unres-dock/CMakeLists.txt +++ b/source/unres-dock/CMakeLists.txt @@ -69,7 +69,7 @@ if(UNRES_WITH_MPI) FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_DOCK.sh "#!/bin/sh -${mpiexec} ${boot_lam} ${np} 1 ../../bin/generator $1 $2 0 8 -991234 +${mpiexec} ${boot_lam} ${np} 1 ../../bin/generator $1 $2 0 8 -991231 cat 2WFU_A.pdb > plik1ter.pdb echo TER >> plik1ter.pdb cat 2WFU_B.pdb >> plik1ter.pdb @@ -218,7 +218,7 @@ FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh add_test(NAME UNRES_M_DOCK_generator COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_DOCK.sh 2WFU_A.pdb 2WFU_B.pdb ) - add_test(NAME UNRES_M_DOCK_mremd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_E0LL2Y.sh 2WFU_dock 1 8 ) + add_test(NAME UNRES_M_DOCK_mremd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_E0LL2Y.sh 2WFU_dock 2 16 ) add_test(NAME UNRES_M_DOCK_wham COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/wham_mpi_E0LL2Y.sh wham 2) add_test(NAME UNRES_M_DOCK_cluster COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/cluster_wham_mpi_E0LL2Y.sh cluster 2 ) @@ -350,7 +350,7 @@ FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh add_test(NAME UNRES_M_DOCK_generator COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_DOCK.sh 2WFU_A.pdb 2WFU_B.pdb ) - add_test(NAME UNRES_M_DOCK_mremd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_E0LL2Y.sh 2WFU_dock 1 8 ) + add_test(NAME UNRES_M_DOCK_mremd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_mpi_E0LL2Y.sh 2WFU_dock 2 16 ) add_test(NAME UNRES_M_DOCK_wham COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/wham_mpi_E0LL2Y.sh wham 2) add_test(NAME UNRES_M_DOCK_cluster COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/cluster_wham_mpi_E0LL2Y.sh cluster 2 ) -- 1.7.9.5