# TESTS
#=========================================
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $CLUSTER_WHAM_BIN
+mpiexec ${boot_lam} -np $2 $CLUSTER_WHAM_BIN
./cluster_wham_check.sh $1
")
# TESTS
#=========================================
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $CLUSTER_WHAM_BIN
+mpiexec ${boot_lam} -np $2 $CLUSTER_WHAM_BIN
./cluster_wham_check.sh $1
")
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
#
# File permissions workaround
#
export PATTERN=$DD/patterns.cart
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $3 $UNRES_BIN | grep -v traj1file
+mpiexec ${boot_lam} -np $3 $UNRES_BIN | grep -v traj1file
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
else(NOT UNRES_WITH_MPI)
-# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
- if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
- MESSAGE (STATUS "LAM MPI library detected")
- set (boot_lam "-boot")
- else()
- set (boot_lam "")
- endif()
if(UNRES_MD_FF STREQUAL "GAB")
add_test(NAME UNRES_M_MD_MPI_Ala10 COMMAND mpiexec ${boot_lam} ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
)
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
export PATTERN=$DD/patterns.cart
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $3 $UNRES_BIN | grep -v traj1file
+mpiexec ${boot_lam} -np $3 $UNRES_BIN | grep -v traj1file
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
else(NOT UNRES_WITH_MPI)
-# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
- if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
- MESSAGE (STATUS "LAM MPI library detected")
- set (boot_lam "-boot")
- else()
- set (boot_lam "")
- endif()
if(UNRES_MD_FF STREQUAL "GAB")
add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpiexec ${boot_lam} ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
# TESTS
#=========================================
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $WHAM_BIN
+mpiexec ${boot_lam} -np $2 $WHAM_BIN
./wham_check.sh $1
")
# TESTS
#=========================================
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $WHAM_BIN
+mpiexec ${boot_lam} -np $2 $WHAM_BIN
./wham_check.sh $1
")