blob: 8e6e9641145c3798a3013fd845e917ff84905b18 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
|
# patch to make rungms wrapper script for GAMESS work on our
# gentoo install
--- gamess/rungms 2005-07-23 20:33:54.000000000 +0000
+++ gamess-gentoo/rungms 2005-09-04 17:01:19.000000000 +0000
@@ -39,7 +39,7 @@
# its own list of further requirements.
#
set TARGET=sockets
-set SCR=/scr/$USER
+set SCR=./
#
set JOB=$1 # name of the input file xxx.inp, give only the xxx part
set VERNO=$2 # revision number of the executable created by 'lked' step
@@ -90,11 +90,11 @@
# is therefore most suitable to be stored only once, on the file server.
#
set echo
-setenv ERICFMT ~mike/gamess/ericfmt.dat
+setenv ERICFMT /usr/share/gamess/ericfmt/ericfmt.dat
setenv EXTBAS /dev/null
-setenv IRCDATA ~/scr/$JOB.irc
+setenv IRCDATA $SCR/$JOB.irc
setenv INPUT $SCR/$JOB.F05
-setenv PUNCH ~/scr/$JOB.dat
+setenv PUNCH $SCR/$JOB.dat
setenv AOINTS $SCR/$JOB.F08
setenv MOINTS $SCR/$JOB.F09
setenv DICTNRY $SCR/$JOB.F10
@@ -124,8 +124,8 @@
setenv SOINTY $SCR/$JOB.F32
setenv SOINTZ $SCR/$JOB.F33
setenv SORESC $SCR/$JOB.F34
-setenv SIMEN ~/scr/$JOB.simen
-setenv SIMCOR ~/scr/$JOB.simcor
+setenv SIMEN $SCR/$JOB.simen
+setenv SIMCOR $SCR/$JOB.simcor
setenv GCILIST $SCR/$JOB.F37
setenv HESSIAN $SCR/$JOB.F38
setenv SOCCDAT $SCR/$JOB.F40
@@ -266,7 +266,7 @@
if ($os == HP-UX) set GMSPATH=/zr/mike/gamess
if ($os == IRIX) set GMSPATH=/home/hbar4/people/schmidt/gamess
if ($os == IRIX64) set GMSPATH=/home/hbar4/people/schmidt/gamess
- if ($os == Linux) set GMSPATH=/cu/mike/gamess
+ if ($os == Linux) set GMSPATH=/usr/bin
if ($os == OSF1) set GMSPATH=/au/mike/gamess
if ($os == SunOS) set GMSPATH=/hf/mike/gamess
# special compilation for my old Sun (uname also replies SunOS)
|
GitWeb
