X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=1e062789916539a43fbbad11a9232e71abdfc43c;hb=ba336044ce7bc91275e35a0db3a264ae3ec91a0f;hp=5e7341f1c400987b95be4f3b3d21c283ee602bcb;hpb=ca669afc105e3b8141d4b38a4d2b388304176f72;p=unres.git

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 5e7341f..1e06278 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}
@@ -425,6 +428,7 @@ export THETPARPDB=$DD/thetaml.5parm
 export ROTPARPDB=$DD/scgauss.parm
 export PATTERN=$DD/patterns.cart
 #-----------------------------------------------------------------------------
+echo CTEST_FULL_OUTPUT \(Avoid ctest truncation of output\)
 $UNRES_BIN
 ./prota_unres_energy_check.sh ${prota_unres_energy_output}
 ")
@@ -459,7 +463,7 @@ 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)