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)
#=========================================
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}
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)