From 56dfaec7b74322d2ff85d5dddd73c8e905f24f1b Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Mon, 29 Feb 2016 06:06:39 +0100 Subject: [PATCH] ctest for E0LL2Y with MPI now using FGPROCS=2 --- source/unres/src_MD/CMakeLists.txt | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt index 5e7341f..2a75640 100644 --- a/source/unres/src_MD/CMakeLists.txt +++ b/source/unres/src_MD/CMakeLists.txt @@ -395,8 +395,10 @@ FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/prota_unres_energy_check.sh if(NOT UNRES_WITH_MPI) set(prota_unres_energy_output "prota_ENE.out_GB") + set(fgprocs "1") else(NOT UNRES_WITH_MPI) set(prota_unres_energy_output "prota_ENE.out_GB000") + set(fgprocs "2") endif(NOT UNRES_WITH_MPI) #========================================= @@ -406,6 +408,7 @@ endif(NOT UNRES_WITH_MPI) FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_prota_E0LL2Y.sh "#!/bin/sh export POT=GB +export FGPROCS=${fgprocs} export PREFIX=prota_ENE #----------------------------------------------------------------------------- UNRES_BIN=${CMAKE_BINARY_DIR}/bin/${UNRES_BIN} @@ -459,7 +462,7 @@ else(NOT UNRES_WITH_MPI) endif(UNRES_MD_FF STREQUAL "GAB") if(UNRES_MD_FF STREQUAL "E0LL2Y") - add_test(NAME UNRES_MD_prota COMMAND mpiexec -boot ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh ) + add_test(NAME UNRES_MD_prota COMMAND mpiexec -boot -np 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh ) endif(UNRES_MD_FF STREQUAL "E0LL2Y") endif(NOT UNRES_WITH_MPI) -- 1.7.9.5