diff -ur gamess-20090112R3/comp gamess/comp --- gamess-20090112R3/comp 2009-04-07 23:52:31.000000000 +0900 +++ gamess/comp 2010-01-22 14:18:27.000000000 +0900 @@ -12,8 +12,8 @@ # sgi32,sgi64,sun32,sun64 # 2. Choose your GAMESS directory tree. # -set TARGET=ibm64 -chdir /u1/mike/gamess +set TARGET=linux32 +chdir /home/nakano/gamess # # ---- and now the script begins... # @@ -1135,7 +1135,7 @@ # The only thing you need to change is the next line. # Note: you must make the analogous choice in compddi and lked, as well. # - set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c + set FORTRAN=ifort # choose from g77, gfortran, ifort, pgf77, f2c # switch ($FORTRAN) # diff -ur gamess-20090112R3/compall gamess/compall --- gamess-20090112R3/compall 2009-01-07 06:20:46.000000000 +0900 +++ gamess/compall 2010-01-22 14:15:13.000000000 +0900 @@ -13,8 +13,8 @@ # sgi32,sgi64,sun32,sun64 # 2. Choose your GAMESS directory tree. # -set TARGET=ibm64 -chdir /u1/mike/gamess +set TARGET=linux32 +chdir /home/nakano/gamess # # ----- and now the script begins... # diff -ur gamess-20090112R3/ddi/compddi gamess/ddi/compddi --- gamess-20090112R3/ddi/compddi 2009-05-15 04:27:10.000000000 +0900 +++ gamess/ddi/compddi 2010-01-22 14:52:44.000000000 +0900 @@ -15,7 +15,7 @@ # linux32,linux64,linux-ia64,mac32,mac64,macG5,necsx, # sgi32,sgi64,sun32,sun64 # - set TARGET = ibm64 + set TARGET = linux32 # 2. Choose DDI communication layer, the only legal values are # sockets,mixed,mpi,shmem,lapi,armci @@ -537,7 +537,7 @@ # if($TARGET == linux32) then - set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c + set FORTRAN=ifort # choose from g77, gfortran, ifort, pgf77, f2c set CC = 'gcc' set CFLAGS = "-DLINUX -O3 -fstrict-aliasing -I./include" diff -ur gamess-20090112R3/lked gamess/lked --- gamess-20090112R3/lked 2009-05-05 05:59:41.000000000 +0900 +++ gamess/lked 2010-01-22 16:19:37.000000000 +0900 @@ -15,8 +15,8 @@ # sgi32,sgi64,sun32,sun64 # 2. Choose your GAMESS directory tree. # -set TARGET=ibm64 -chdir /u1/mike/gamess +set TARGET=linux32 +chdir /home/nakano/gamess # # ---- and now the script begins... # @@ -299,7 +299,7 @@ # if ($TARGET == linux32) then # - set FORTRAN=g77 # choose from g77, gfortran, ifort, pgf77, f2c + set FORTRAN=ifort # choose from g77, gfortran, ifort, pgf77, f2c # switch ($FORTRAN) case g77: diff -ur gamess-20090112R3/runall gamess/runall --- gamess-20090112R3/runall 2009-02-28 08:57:18.000000000 +0900 +++ gamess/runall 2010-01-22 16:41:44.000000000 +0900 @@ -10,7 +10,7 @@ # # Only the following two lines need to be customized: # -chdir /u1/mike/gamess +chdir /home/nakano/gamess set VERNO=00 # # Loop over all Ntest jobs supplied with GAMESS diff -ur gamess-20090112R3/rungms gamess/rungms --- gamess-20090112R3/rungms 2009-05-08 23:18:17.000000000 +0900 +++ gamess/rungms 2010-01-22 16:41:39.000000000 +0900 @@ -57,7 +57,7 @@ # one for LoadLeveler "ll-gms". # set TARGET=sockets -set SCR=/scr/$USER +set SCR=/tmp # set JOB=$1 # name of the input file xxx.inp, give only the xxx part set VERNO=$2 # revision number of the executable created by 'lked' step @@ -124,17 +124,17 @@ # set echo # ASCII input files (see explanation above) -setenv ERICFMT ~mike/gamess/ericfmt.dat -setenv MCPPATH ~mike/gamess/mcpdata +setenv ERICFMT ~$USER/gamess/ericfmt.dat +setenv MCPPATH ~$USER/gamess/mcpdata setenv EXTBAS /dev/null setenv NUCBAS /dev/null # -setenv MAKEFP ~$USER/scr/$JOB.efp -setenv GAMMA ~$USER/scr/$JOB.gamma -setenv TRAJECT ~$USER/scr/$JOB.trj -setenv RESTART ~$USER/scr/$JOB.rst +setenv MAKEFP $SCR/$JOB.efp +setenv GAMMA $SCR/$JOB.gamma +setenv TRAJECT $SCR/$JOB.trj +setenv RESTART $SCR/$JOB.rst setenv INPUT $SCR/$JOB.F05 -setenv PUNCH ~$USER/scr/$JOB.dat +setenv PUNCH $SCR/$JOB.dat setenv AOINTS $SCR/$JOB.F08 setenv MOINTS $SCR/$JOB.F09 setenv DICTNRY $SCR/$JOB.F10 @@ -432,7 +432,7 @@ if ($os == AIX) set GMSPATH=/u1/mike/gamess if ($os == Darwin) set GMSPATH=/Users/mike/desktop/gamess if ($os == HP-UX) set GMSPATH=/zr/mike/gamess - if ($os == Linux) set GMSPATH=/cu/mike/gamess + if ($os == Linux) set GMSPATH=~$USER/gamess if ($os == OSF1) set GMSPATH=/in/mike/gamess if ($os == SunOS) set GMSPATH=/hf/mike/gamess # special compilation for Sun E450 uSPARC (uname also= SunOS)