no stop after Bad Cartesians in wham

[unres.git] / source / unres / src_MD / Makefile_MPICH_ifort

diff --git a/source/unres/src_MD/Makefile_MPICH_ifort b/source/unres/src_MD/Makefile_MPICH_ifort
index a3de06b..509b0cb 100644 (file)
--- a/source/unres/src_MD/Makefile_MPICH_ifort
+++ b/source/unres/src_MD/Makefile_MPICH_ifort
@@ -1,6 +1,6 @@
 ###################################################################
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
-#INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
+#INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+INSTALL_DIR = /users/software/mpich2-1.4.1p1_intel
 
 
 FC= ifort
@@ -15,8 +15,8 @@ FFLAGSE = -c  -O3 -ipo  -opt_report -I$(INSTALL_DIR)/include
 #FFLAGSE = ${FFLAGS1}
 
 # -lmpl necessary in mpich
-#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -lmpl -CB
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -lmpl 
+#LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -CB
 
 ARCH = LINUX
 PP = /lib/cpp -P