From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Mon, 29 Feb 2016 05:06:39 +0000 (+0100)
Subject: ctest for E0LL2Y with MPI now using FGPROCS=2
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=56dfaec7b74322d2ff85d5dddd73c8e905f24f1b

ctest for E0LL2Y with MPI now using FGPROCS=2
---

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)