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ctest works with lam mpi
author
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Mon, 18 Apr 2016 12:56:38 +0000
(14:56 +0200)
committer
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Mon, 18 Apr 2016 12:56:38 +0000
(14:56 +0200)
source/cluster/wham/src-M/CMakeLists.txt
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source/cluster/wham/src/CMakeLists.txt
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source/unres/src_MD-M/CMakeLists.txt
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source/unres/src_MD/CMakeLists.txt
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source/wham/src-M/CMakeLists.txt
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source/wham/src/CMakeLists.txt
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diff --git
a/source/cluster/wham/src-M/CMakeLists.txt
b/source/cluster/wham/src-M/CMakeLists.txt
index
f2bab4f
..
0293d15
100644
(file)
--- a/
source/cluster/wham/src-M/CMakeLists.txt
+++ b/
source/cluster/wham/src-M/CMakeLists.txt
@@
-175,6
+175,15
@@
install(TARGETS UNRES_CLUSTER_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clu
# TESTS
#=========================================
# TESTS
#=========================================
+# MESSAGE (STATUS "${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
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
@@
-206,7
+215,7
@@
export SIDEP=$DD/contact.3.parm
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
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
")
./cluster_wham_check.sh $1
")
diff --git
a/source/cluster/wham/src/CMakeLists.txt
b/source/cluster/wham/src/CMakeLists.txt
index
8669d33
..
49068c4
100644
(file)
--- a/
source/cluster/wham/src/CMakeLists.txt
+++ b/
source/cluster/wham/src/CMakeLists.txt
@@
-176,6
+176,15
@@
install(TARGETS UNRES_CLUSTER_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clust
# TESTS
#=========================================
# TESTS
#=========================================
+# MESSAGE (STATUS "${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
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
@@
-207,7
+216,7
@@
export SIDEP=$DD/contact.3.parm
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
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
")
./cluster_wham_check.sh $1
")
diff --git
a/source/unres/src_MD-M/CMakeLists.txt
b/source/unres/src_MD-M/CMakeLists.txt
index
28bdae4
..
ce09ea7
100644
(file)
--- a/
source/unres/src_MD-M/CMakeLists.txt
+++ b/
source/unres/src_MD-M/CMakeLists.txt
@@
-505,6
+505,15
@@
$UNRES_BIN
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
+# MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+ if ("${MPI_Fortran_LIBRARIES}" MATCHES "lam")
+ MESSAGE (STATUS "LAM MPI library detected")
+ set (boot_lam "-boot")
+ else()
+ set (boot_lam "")
+ endif()
+
+
#
# File permissions workaround
#
#
# File permissions workaround
#
@@
-537,7
+546,7
@@
export ROTPARPDB=$DD/scgauss.parm
export PATTERN=$DD/patterns.cart
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
export PATTERN=$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}
")
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
@@
-581,13
+590,6
@@
if(NOT UNRES_WITH_MPI)
else(NOT UNRES_WITH_MPI)
else(NOT UNRES_WITH_MPI)
-# MESSAGE (STATUS "${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 )
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 )
diff --git
a/source/unres/src_MD/CMakeLists.txt
b/source/unres/src_MD/CMakeLists.txt
index
e13e535
..
af38302
100644
(file)
--- a/
source/unres/src_MD/CMakeLists.txt
+++ b/
source/unres/src_MD/CMakeLists.txt
@@
-482,6
+482,15
@@
FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_prota_E0LL2Y.sh
FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
)
FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
)
+# MESSAGE (STATUS "${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
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
@@
-506,7
+515,7
@@
export ROTPARPDB=$DD/scgauss.parm
export PATTERN=$DD/patterns.cart
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
export PATTERN=$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}
")
./prota_unres_energy_check.sh $1 ${UNRES_BIN}
")
@@
-545,13
+554,6
@@
if(NOT UNRES_WITH_MPI)
else(NOT UNRES_WITH_MPI)
else(NOT UNRES_WITH_MPI)
-# MESSAGE (STATUS "${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 )
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 )
diff --git
a/source/wham/src-M/CMakeLists.txt
b/source/wham/src-M/CMakeLists.txt
index
1a29d77
..
195e5df
100644
(file)
--- a/
source/wham/src-M/CMakeLists.txt
+++ b/
source/wham/src-M/CMakeLists.txt
@@
-244,6
+244,15
@@
install(TARGETS UNRES_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
# TESTS
#=========================================
# TESTS
#=========================================
+# MESSAGE (STATUS "${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
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
@@
-270,7
+279,7
@@
export SIDEP=$DD/contact.3.parm
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $WHAM_BIN
+mpiexec ${boot_lam} -np $2 $WHAM_BIN
./wham_check.sh $1
")
./wham_check.sh $1
")
diff --git
a/source/wham/src/CMakeLists.txt
b/source/wham/src/CMakeLists.txt
index
5635fc7
..
b58dda7
100644
(file)
--- a/
source/wham/src/CMakeLists.txt
+++ b/
source/wham/src/CMakeLists.txt
@@
-244,6
+244,15
@@
install(TARGETS UNRES_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
# TESTS
#=========================================
# TESTS
#=========================================
+# MESSAGE (STATUS "${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
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh
"#!/bin/sh
export POT=GB
@@
-270,7
+279,7
@@
export SIDEP=$DD/contact.3.parm
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
export SCRATCHDIR=.
#-----------------------------------------------------------------------------
echo CTEST_FULL_OUTPUT
-mpiexec -np $2 $WHAM_BIN
+mpiexec ${boot_lam} -np $2 $WHAM_BIN
./wham_check.sh $1
")
./wham_check.sh $1
")