ctest -DUNRES_MPIRUN=1 for tryton

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
index b911074..4c73620 100644 (file)
--- a/source/cluster/wham/src-M/CMakeLists.txt
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -222,6 +222,9 @@ install(TARGETS UNRES_CLUSTER_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clu
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/cluster/wham/src/CMakeLists.txt b/source/cluster/wham/src/CMakeLists.txt
index 288c88e..10348bb 100644 (file)
--- a/source/cluster/wham/src/CMakeLists.txt
+++ b/source/cluster/wham/src/CMakeLists.txt
@@ -223,6 +223,9 @@ install(TARGETS UNRES_CLUSTER_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clust
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/unres/src_CSA/CMakeLists.txt b/source/unres/src_CSA/CMakeLists.txt
index f1c750b..261d542 100644 (file)
--- a/source/unres/src_CSA/CMakeLists.txt
+++ b/source/unres/src_CSA/CMakeLists.txt
@@ -397,6 +397,9 @@ endif(UNRES_CSA_FF STREQUAL "E0LL2Y")
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/unres/src_MD-M/CMakeLists.txt b/source/unres/src_MD-M/CMakeLists.txt
index f878e6c..0e602c0 100644 (file)
--- a/source/unres/src_MD-M/CMakeLists.txt
+++ b/source/unres/src_MD-M/CMakeLists.txt
@@ -516,6 +516,9 @@ $UNRES_BIN
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index 49d5bcb..443995c 100644 (file)
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -582,6 +582,9 @@ FILE(       COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_prota_E0LL2Y.sh
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/wham/src-M/CMakeLists.txt b/source/wham/src-M/CMakeLists.txt
index 3763325..8be0d86 100644 (file)
--- a/source/wham/src-M/CMakeLists.txt
+++ b/source/wham/src-M/CMakeLists.txt
@@ -255,6 +255,9 @@ install(TARGETS UNRES_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")

diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt
index 42b9602..5d3ebe3 100644 (file)
--- a/source/wham/src/CMakeLists.txt
+++ b/source/wham/src/CMakeLists.txt
@@ -256,6 +256,9 @@ install(TARGETS UNRES_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")