Warning: no access to tty (Bad file descriptor).
Thus no job control in this shell.
setenv g03root /usr/local/packages
source /usr/local/packages/g03/bsd/g03.login
if ( 1 ) then
set gr=/usr/local/packages
else
setenv GAUSS_EXEDIR /usr/local/packages/g03/bsd:/usr/local/packages/g03/local:/usr/local/packages/g03/extras:/usr/local/packages/g03
setenv GAUSS_LEXEDIR /usr/local/packages/g03/linda-exe
setenv GAUSS_ARCHDIR /usr/local/packages/g03/arch
setenv GV_DIR /usr/local/packages/gv
if ( -e /usr/local/packages/gv/gview.app ) then
alias gv $GV_DIR/gview
endif
if ( ! 0 ) setenv PGI /usr/pgi
setenv PGI /usr/pgi
if ( ! 0 ) then
foreach x ( linux86-64/7.0-7 linux86-64/7.0-4 linux86-64/6.2 linux86-64/6.1 linux86-64/6.0 linux86/7.0-7 linux86/7.0-4 linux86/6.2 linux86/6.1 linux86/6.0 osx86-64/7.0-5 osx86/7.0-5 )
if ( -e /usr/pgi/linux86-64/7.0-7 ) then
end
if ( -e /usr/pgi/linux86-64/7.0-4 ) then
end
if ( -e /usr/pgi/linux86-64/6.2 ) then
end
if ( -e /usr/pgi/linux86-64/6.1 ) then
end
if ( -e /usr/pgi/linux86-64/6.0 ) then
end
if ( -e /usr/pgi/linux86/7.0-7 ) then
end
if ( -e /usr/pgi/linux86/7.0-4 ) then
end
if ( -e /usr/pgi/linux86/6.2 ) then
end
if ( -e /usr/pgi/linux86/6.1 ) then
end
if ( -e /usr/pgi/linux86/6.0 ) then
end
if ( -e /usr/pgi/osx86-64/7.0-5 ) then
end
if ( -e /usr/pgi/osx86/7.0-5 ) then
end
setenv PGIDIR Portland Group Version 7.0 compiler not found.
PGIDONE:
endif
if ( 1 ) then
setenv PATH /usr/kerberos/bin:/usr/local/packages/mpi/gcc/openmpi-1.2.6//bin:/usr/local/packages/torque/2.3.3/bin:/bin:/usr/bin:/usr/psc/gnu/bin:/usr/psc/krb5/bin:/usr/local/bin:/usr/local/packages/tg/bin:/usr/X11R6/bin:/usr/psc/bin:/usr/local/packages/g03/bsd:/usr/local/packages/g03/local:/usr/local/packages/g03/extras:/usr/local/packages/g03
else
rehash
setenv _DSM_BARRIER SHM
if ( 0 ) then
if ( 1 ) then
setenv LD_LIBRARY_PATH /usr/local/packages/g03/bsd:/usr/local/packages/g03/local:/usr/local/packages/g03/extras:/usr/local/packages/g03:/usr/local/packages/gv/lib:/usr/local/packages/intel/mkl/lib/em64t
else
setenv GDVBASIS /usr/local/packages/g03/basis
set gman=/usr/local/packages/g03/bsd
if ( 1 ) then
setenv MANPATH /usr/local/packages/g03/bsd:/usr/local/packages/intel/mkl/man:/usr/local/packages/mpi/gcc/openmpi-1.2.6//share/man:/usr/local/packages/torque/2.3.3/man:/usr/man
endif
alias sl /usr/local/packages/g03/tests/searchlog.csh
set mname = `set-mflags x`
set-mflags x
set mflags = `set-mflags`
set-mflags
alias mg make -f bsd/g03.make  CSIZE=6291456 CSIZEW=768 OPTOI= MMODEL='-mcmodel=medium' PROCTYPE=-D_EM64T_ I8FLAG=-i8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 MACHTY=p7-64 GAULIBU=util.a BLAS1=bsd/libf77blas-em64t.a BLAS2=bsd/libatlas-em64t.a
if ( -e /usr/local/packages/g03/bsd/setup-make ) then
source /usr/local/packages/g03/bsd/setup-make
set mach = `gau-hname`
gau-hname
set xname = /usr/local/packages/g03
set mstr = make
if ( ( em64t == ibm_rs6k_aix ) || ( em64t == ibm_rs6k_linux ) ) then
if ( em64t == alpha-osf1 ) then
if ( em64t == alpha-linux ) then
if ( em64t == cray1 ) then
if ( ( em64t == i386 ) || ( em64t == amd64 ) || ( em64t == em64t ) || ( em64t == i386-mac64 ) || ( em64t == i386-mac32 ) ) then
setenv MAKEFLAGS `set-mflags`
set-mflags
if ( ( -e /usr/local/packages/g03/ia32p3.flag ) || ( -e /usr/local/packages/g03/ia32p2.flag ) ) then
if ( em64t == i386 ) then
if ( em64t == amd64 ) then
if ( em64t == em64t ) then
set fcname = FCN='pgf77'
set fcflag = FC='-mp=nonuma -tp p7-64 -i8 -mcmodel=medium'
set blas = BLAS='' UTIL_NAME='{util,bsd/libf77blas-em64t,bsd/libatlas-em64t}.a' MACHTY=p7-64 GAULIBU=util.a I8FLAG=-i8 MMODEL='-mcmodel=medium' OPTOI= I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2
set lfort = pgf77 -mp=nonuma -tp p7-64 -i8 -mcmodel=medium
else if ( em64t == i386-mac64 ) then
set fcflagp = 
set fc2flag = FC2='-lm -lc'
setenv LINDA_FORTRAN pgf77 -mp=nonuma -tp p7-64 -i8 -mcmodel=medium
setenv POSTFL_FORTRAN pgf77 -mp=nonuma -tp p7-64 -i8 -mcmodel=medium
setenv LINDA_FORTRAN_LINK pgf77 -mp=nonuma -tp p7-64 -i8 -mcmodel=medium
set blasp = BLAS='' UTIL_NAME='{util,bsd/libf77blas-em64t,bsd/libatlas-em64t}.a' MACHTY=p7-64 GAULIBU=util.a I8FLAG=-i8 MMODEL='-mcmodel=medium' OPTOI= I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2
set pstr = -p
else if ( em64t == sun_solaris2 ) then
alias mk make  CSIZE=6291456 CSIZEW=768 OPTOI= MMODEL='-mcmodel=medium' PROCTYPE=-D_EM64T_ I8FLAG=-i8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 MACHTY=p7-64 GAULIBU=util.a BLAS1=bsd/libf77blas-em64t.a BLAS2=bsd/libatlas-em64t.a GAU_DIR=/usr/local/packages/g03 BLAS='' UTIL_NAME='{util,bsd/libf77blas-em64t,bsd/libatlas-em64t}.a' MACHTY=p7-64 GAULIBU=util.a I8FLAG=-i8 MMODEL='-mcmodel=medium' OPTOI= I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 FCN='pgf77' FC='-mp=nonuma -tp p7-64 -i8 -mcmodel=medium' FC2='-lm -lc'
alias mkp make  CSIZE=6291456 CSIZEW=768 OPTOI= MMODEL='-mcmodel=medium' PROCTYPE=-D_EM64T_ I8FLAG=-i8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 MACHTY=p7-64 GAULIBU=util.a BLAS1=bsd/libf77blas-em64t.a BLAS2=bsd/libatlas-em64t.a GAU_DIRA=/usr/local/packages/g03/prof UTIL_NAME=profutil.a BLAS='' UTIL_NAME='{util,bsd/libf77blas-em64t,bsd/libatlas-em64t}.a' MACHTY=p7-64 GAULIBU=util.a I8FLAG=-i8 MMODEL='-mcmodel=medium' OPTOI= I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2  FCN='pgf77' FC2='-lm -lc' PROFFLAG=-p UPROFFLAG=-p
alias mkno make  CSIZE=6291456 CSIZEW=768 OPTOI= MMODEL='-mcmodel=medium' PROCTYPE=-D_EM64T_ I8FLAG=-i8 I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 MACHTY=p7-64 GAULIBU=util.a BLAS1=bsd/libf77blas-em64t.a BLAS2=bsd/libatlas-em64t.a GAU_DIR=/usr/local/packages/g03 BLAS='' UTIL_NAME='{util,bsd/libf77blas-em64t,bsd/libatlas-em64t}.a' MACHTY=p7-64 GAULIBU=util.a I8FLAG=-i8 MMODEL='-mcmodel=medium' OPTOI= I8CPP1=-DI64 I8CPP2=-DP64 I8CPP3=-DPACK64 I8CPP4=-DUSE_I2 FCN='pgf77' FC='-mp=nonuma -tp p7-64 -i8 -mcmodel=medium' FC2='-lm -lc' PROFFLAG='-g -O0' UPROFFLAG='-g -O0'
alias gt g03 -exedir=l1:/usr/local/packages/g03/bsd:/usr/local/packages/g03/local:/usr/local/packages/g03/extras:/usr/local/packages/g03
alias ngt nohup g03 -exedir=l1:/usr/local/packages/g03/bsd:/usr/local/packages/g03/local:/usr/local/packages/g03/extras:/usr/local/packages/g03
alias mkf make -f /usr/local/packages/g03/bsd/g03.make
endif
set mach = `gau-machine`
gau-machine
if ( amd64 == sgi ) then
if ( amd64 == ia64 ) then
if ( amd64 == ibm_rs6k_linux ) then
set xtmp = /usr/local/packages/g03/tests/search.csh
alias ss /usr/local/packages/g03/tests/search.csh log ia64
alias si /usr/local/packages/g03/tests/search.csh log ibm
source /usr/local/packages/g03/bsd/gau-unlimit
set x = `gau-machine`
gau-machine
if ( ( amd64 != hp700 ) && ( amd64 != convex_spp ) && ( amd64 != hi_ux ) && ( amd64 != hi_osf ) && ( amd64 != hal ) ) then
unlimit datasize
if ( ( amd64 != sgi ) && ( amd64 != sun_solaris2 ) && ( amd64 != amd_solaris2 ) && ( amd64 != i386 ) && ( amd64 != gp7kf ) ) unlimit memoryuse
unlimit memoryuse
limit coredumpsize 0
unlimit stacksize
endif
unset gr
unset gman
unset xtmp
echo

echo

echo

echo

set base = /usr/users/0/nigra/gaussian
set name = water_opt.job
setenv jobid `echo $PBS_JOBID | cut -f 1 -d'.'`
echo 4337.warhol1.psc.edu
cut -f 1 -d.
set scr = /scratch/nigra/water_opt.job.4337
mkdir -m 700 /scratch/nigra/water_opt.job.4337
cp /usr/users/0/nigra/gaussian/water_opt.g03 /scratch/nigra/water_opt.job.4337
cd /scratch/nigra/water_opt.job.4337
/usr/local/packages/g03/g03
mv /scratch/nigra/water_opt.job.4337/water.chk /usr/users/0/nigra/gaussian
mv /scratch/nigra/water_opt.job.4337/water_opt.log /usr/users/0/nigra/gaussian