FC = ifort
OPT = -O3 -ip -w
OPT = -CB -g
-FFLAGS = ${OPT} -c -I. -I../src_MD_T-sccor/include_unres -I../src_MD_T-sccor -I/users/adam/MEY_MD/src_Tc-czarek -I$(INSTALL_DIR)/include
+FFLAGS = ${OPT} -c -I. -Iinclude_unres -I$(INSTALL_DIR)/include
CPPFLAGS = -DLINUX -DPGI -DSPLITELE -DPROCOR -DCRYST_BOND -DCRYST_THETA -DCRYST_SC -DMP -DMPI
-LIBS = -L$(INSTALL_DIR)/lib -lmpich ../../../wham/src/xdrf/libxdrf.a -g -d2 -CA -CB
+LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a -g -d2 -CA -CB
.c.o:
cc -c -DLINUX -DPGI $*.c
geomout.o readpdb.o read_coords.o parmread.o probabl.o fitsq.o hc.o \
track.o wrtclust.o srtclust.o noyes.o contact.o printmat.o \
int_from_cart1.o energy_p_new.o icant.o proc_proc.o work_partition.o \
- setup_var.o read_ref_str.o
+ setup_var.o read_ref_str.o gnmr1.o
unres_clust: $(objects)
$(FC) ${OPT} ${objects} ${LIBS} -o ${BIN}/unres_clustMD_MPI-oldparm
E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-DSPLITELE -DLANG0
-E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
+E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y-test.exe
E0LL2Y: ${object} xdrf/libxdrf.a
cc -o compinfo compinfo.c
./compinfo | true
C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 2 5 298
+C 2 5 299
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 2.5 build 298'
- write(iout,*)'compiled Thu Jul 5 05:49:13 2012'
+ write(iout,*)'Version 2.5 build 299'
+ write(iout,*)'compiled Wed Jul 18 03:29:18 2012'
write(iout,*)'compiled by jal47@matrix.chem.cornell.edu'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
integer MaxR,MaxT_h
integer MaxSlice
parameter (Max_Parm=128)
- parameter (MaxQ=1,MaxQ1=MaxQ+2)
+ parameter (MaxQ=4,MaxQ1=MaxQ+2)
parameter(MaxR=1,MaxT_h=32)
parameter(MaxSlice=40)
integer MaxN
./compinfo
${FC} -c ${FFLAGS} cinfo.f
$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
- ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_E0LL2Y.exe
+ ${LIBS} -static-intel -o ${BIN}/wham_ifort_MPICH_E0LL2Y-debug.exe
xdrf/libxdrf.a:
cd xdrf && make
C DO NOT EDIT THIS FILE - IT HAS BEEN GENERATED BY COMPINFO.C
-C 0 0 570
+C 0 0 573
subroutine cinfo
include 'COMMON.IOUNITS'
write(iout,*)'++++ Compile info ++++'
- write(iout,*)'Version 0.0 build 570'
- write(iout,*)'compiled Thu Jul 5 03:32:30 2012'
+ write(iout,*)'Version 0.0 build 573'
+ write(iout,*)'compiled Wed Jul 18 03:05:03 2012'
write(iout,*)'compiled by jal47@matrix.chem.cornell.edu'
write(iout,*)'OS name: Linux '
write(iout,*)'OS release: 2.6.34.9-69.fc13.x86_64 '
write(iout,*)'FC= ifort'
write(iout,*)'OPT = -mcmodel=medium -O3 -ip -w'
write(iout,*)'FFLAGS = ${OPT} -c -I. -I./include_unres -I$(IN...'
- write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich .....'
+ write(iout,*)'LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich xd...'
write(iout,*)'objects = \\'
write(iout,*)' wham_multparm.o \\'
write(iout,*)' bxread.o \\'