Merge branch 'lipid' of mmka.chem.univ.gda.pl:unres into lipid

[unres.git] / source / wham / src-NEWSC / Makefile_matrix_PGI

diff --git a/source/wham/src-NEWSC/Makefile_matrix_PGI b/source/wham/src-NEWSC/Makefile_matrix_PGI
new file mode 100755 (executable)
index 0000000..bb4982d
--- /dev/null
+++ b/source/wham/src-NEWSC/Makefile_matrix_PGI
@@ -0,0 +1,76 @@
+INSTALL_DIR = /users/software/mpich-1.2.7p1_pgi_9.0_64bit_ssh
+BIN = ../bin
+CC = cc
+FC = pgf90
+#FC = ifc
+#OPT = -mcmodel=medium -Mlarge_arrays -fast -pc 64 -tp amd64 -C -g
+OPT = -mcmodel=medium -Mlarge_arrays -tp amd64
+#FFLAGS =  ${OPT} -g -c -I. -I./include_unres -I$(INSTALL_DIR)/include
+FFLAGS =  ${OPT} -c -C -g -I. -I./include_unres -I$(INSTALL_DIR)/include
+#FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xdrf/libxdrf.a
+#LIBS = -L$(INSTALL_DIR)/lib_pgi -lmpich -lpmpich -Vaxlib
+#CPPFLAGS = -DMPI -DLINUX -DUNRES -DMOMENT -DCHECKGRAD -DPGI
+#CPPFLAGS = -DMPI -DLINUX -DUNRES -DCHECKGRAD -DPGI -DMYGETENV
+CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI 
+#CPPFLAGS = -DMPI -DLINUX -DUNRES -DPGI
+#CPPFLAGS = -DMPI -DLINUX -DUNRES
+
+.f.o:
+       ${FC} ${FFLAGS} $*.f
+
+.F.o:
+       ${FC} ${FFLAGS} ${CPPFLAGS} $*.F
+
+all: make_dbase
+
+objects = \
+       wham_multparm.o \
+       bxread.o \
+       xread.o \
+       cxread.o \
+       enecalc1.o \
+       energy_p_new.o \
+       initialize_p.o \
+       molread_zs.o \
+       openunits.o \
+       readrtns.o \
+       arcos.o \
+       cartder.o \
+       cartprint.o \
+       chainbuild.o \
+       geomout.o \
+       icant.o \
+       intcor.o \
+       int_from_cart.o \
+       make_ensemble1.o \
+       matmult.o \
+       misc.o \
+       mygetenv.o \
+       parmread.o \
+       pinorm.o \
+       printmat.o \
+       proc_proc.o \
+       rescode.o \
+       setup_var.o \
+       slices.o \
+       store_parm.o \
+       timing.o \
+       wham_calc1.o
+
+objects_compar = \
+        readrtns_compar.o \
+        readpdb.o fitsq.o contact.o \
+        elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
+        angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
+        rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
+
+make_dbase: ${objects} ${objects_compar}
+       cc -o compinfo compinfo.c
+       ./compinfo
+       ${FC} -c ${FFLAGS} cinfo.f
+       $(FC) ${OPT} ${objects} ${objects_compar} cinfo.o -Bstatic_pgi \
+       ${LIBS} -o ${BIN}/wham_multparm-hamrep-sep
+
+clean:
+       /bin/rm *.o