X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMakefile_MPICH_ifort;h=181bcd7dc120831c1e39b29a4fb9a67301f58b61;hb=f0bb9d6184e0ad0284b22456f057adbf414a3bdf;hp=5af741cf9bea13e9fb1d6876c74b8640cf21980c;hpb=b64f5db586b97d6f52b422a0edbcbcdadb0400fe;p=unres.git

diff --git a/source/unres/src_MD/Makefile_MPICH_ifort b/source/unres/src_MD/Makefile_MPICH_ifort
index 5af741c..181bcd7 100644
--- a/source/unres/src_MD/Makefile_MPICH_ifort
+++ b/source/unres/src_MD/Makefile_MPICH_ifort
@@ -4,7 +4,7 @@ INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
 
 FC= ifort
 
-OPT =  -g -ip -w -CB 
+OPT =  -O3 -ip -w 
 
 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include 
@@ -18,7 +18,8 @@ ARCH = LINUX
 PP = /lib/cpp -P
 
 
-all: unres
+all: no_option
+	@echo "give optin GAB or E0LL2Y"
 
 .SUFFIXES: .F
 .F.o:
@@ -39,7 +40,9 @@ object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
         intcartderiv.o lagrangian_lesyng.o\
 	stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
         surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
-        q_measure.o gnmr1.o test.o
+        q_measure.o gnmr1.o test.o ssMD.o
+
+no_option:
 
 GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
 	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC
@@ -52,7 +55,7 @@ GAB: ${object} xdrf/libxdrf.a
 
 E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
 	-DSPLITELE -DLANG0
-E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe
+E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
 E0LL2Y: ${object} xdrf/libxdrf.a
 	cc -o compinfo compinfo.c
 	./compinfo | true