X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres-dock%2FCMakeLists.txt;h=8d02ec19cf736ed75939b2271f37b3ab12ead8f5;hb=2fe696bc0458ea72b7e8a2e9a747b9377c768c1b;hp=a6dced825c56fbb22cce207162fee2e0c504e610;hpb=c7884d54662844eded74af2e6c26c427ee6b26b2;p=unres.git

diff --git a/source/unres-dock/CMakeLists.txt b/source/unres-dock/CMakeLists.txt
index a6dced8..8d02ec1 100644
--- a/source/unres-dock/CMakeLists.txt
+++ b/source/unres-dock/CMakeLists.txt
@@ -51,6 +51,31 @@ install(TARGETS UNRES_DOCK_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/unres-dock)
 
 
 if(UNRES_WITH_MPI)
+
+FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_DOCK.sh
+"#!/bin/sh
+
+${mpiexec} ${boot_lam} ${np} 1 ../../bin/generator $1 $2 0 8 -991234
+cat 2WFU_A.pdb > plik1ter.pdb
+echo TER >>  plik1ter.pdb 
+cat 2WFU_B.pdb >> plik1ter.pdb
+
+pdb=`ls model??.pdb |wc -w`
+sco=`ls template??.sco |wc -w`
+
+if [ "$pdb" = "8" ] && [ "$sco" = "8" ]; then
+  echo "8 starting models generated"
+else
+  exit 1
+fi
+")
+
+FILE(	COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_DOCK.sh
+	DESTINATION ${CMAKE_CURRENT_BINARY_DIR}
+	FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
+)
+
+
   if(UNRES_MD_FF STREQUAL "E0LL2Y")
 
   FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dock/