X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMakefile_MPICH_ifort;h=53b787e6da7eee487d0c0222b0b3b22f2c49f593;hb=ca5d615c512bb577c380ea6d210fd13e1d19504b;hp=3ca0bb385e5ef981ce11dfa8afe70e0c2df800b8;hpb=9d614f91387817169c0e7b35e3201c88a7299874;p=unres.git

diff --git a/source/unres/src_MD/Makefile_MPICH_ifort b/source/unres/src_MD/Makefile_MPICH_ifort
index 3ca0bb3..53b787e 100644
--- a/source/unres/src_MD/Makefile_MPICH_ifort
+++ b/source/unres/src_MD/Makefile_MPICH_ifort
@@ -1,21 +1,10 @@
-#-DCRYST_TOR
-# -DPROCOR
-#           -DTSCSC
-#-DTIMING \
-# -DCRYST_BOND -DCRYST_THETA -DCRYST_SC 
-# -DMOMENT
-#-DPARVEC 
-#-DPARINT -DPARINTDER  
-
-#INSTALL_DIR = /users/local/mpi64/mpich-1.2.7p1/
-#INSTALL_DIR = /users/local/mpich2-1.3.1/
+###################################################################
 INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
-#INSTALL_DIR = /users/software/mpich2.x86_64/
 
 
 FC= ifort
 
-OPT =  -O3 -ip -w 
+OPT =  -g -ip -w -CB 
 
 FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
 FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include 
@@ -29,7 +18,8 @@ ARCH = LINUX
 PP = /lib/cpp -P
 
 
-all: unres
+all: no_option
+	@echo "give optin GAB or E0LL2Y"
 
 .SUFFIXES: .F
 .F.o:
@@ -50,7 +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