Need Help Installing Gaussian on SUSE 10
I'm a complete noob when it comes to linux let alone suse
okay for chemistry molecular modeling software theres a program called gaussian and I'm following the instructions on the website, but I can't seem to get too far http://www.gaussian.com/g_tech/install_binary.htm on step three when I got to type cd $g03root it says no such directory exists when I type the commands in su mode.... help! here's what I had from command line if it helps diagnose the problem /home/> setenv mntpnt "/mnt/cdrom" /home/> setenv g03root "dir" /home/> cd $g03root dir: No such file or directory. /home/> setenv g03root /home/> setenv mntpnt "/mnt/cd" /home/> setenv g03root "dir" /home/> cd g03root g03root: No such file or directory. /home/ad> cd $g03root dir: No such file or directory. /home/> mkdir /mnt/cd mkdir: cannot create directory `/mnt/cd': File exists /home/> cd $g03root dir: No such file or directory. /home/> ls bin Desktop Documents public_html /home/> cd bin /bin> ls /bin> cd.. /home/> $ /bin/csh $: Command not found. /home/> cd g03root g03root: No such file or directory. /home/> /bin /bin: Permission denied. /home/> root CORRECT>rootv (y|n|e|a)? no root: Command not found. /home/> su Password: linux-drw4:/home/ # /bin bash: /bin: is a directory linux-drw4:/home/ # /bin/csh naveed has logged on :0 from console. naveed has logged on pts/0 from local. naveed has logged on pts/1 from local. linux-drw4 /home/ setenv mntpnt "/mnt/cdrom" linux-drw4 /home/ setenv g03root "dir" linux-drw4 /home/ cd $g03root dir: No such file or directory. linux-drw4 /home/ |
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ohhhh, cool! Thank you.
alright now i'm stuck at step 4. here's what i did so far. the CD was already in when I booted into suse 10.1.... /home/naveed> setenv mntpnt "/mnt/cdrom" /home/naveed> mk dir g03root CORRECT>mv dir g03root (y|n|e|a)? yes mv: cannot stat `dir': No such file or directory /home/naveed> mkdir g03root /home/naveed> ls bin Desktop Documents g03root public_html /home/naveed> setenv g03root "dir" /home/naveed> cd $g03root dir: No such file or directory. /home/naveed> cd g03root naveed/g03root> cat $mntpnt/tar/*.taz | zcat | tar xvf cat: No match. zcat: stdin: unexpected end of file tar: Old option `f' requires an argument. Try `tar --help' or `tar --usage' for more information. naveed/g03root> cat $mntpnt/tar/*.taz | zcat | tar xvf - cat: No match. zcat: stdin: unexpected end of file naveed/g03root> cat mntpnt/tar/*.taz | zcat |tar xvf cat: No match. tar: Old option `f' requires an argument. Try `tar --help' or `tar --usage' for more information. zcat: stdin: unexpected end of file naveed/g03root> |
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okay this is what i've done so far am I on the right track this time?
naveed@linux-drw4:~> /bin/csh /home/naveed> setenv mntpnt "/mnt/cdrom" /home/naveed> setenv g03root "g03root Unmatched ". /home/naveed> setenv g03root "g03root" /home/naveed> cd g03root naveed/g03root> cat mnt/pnt/tar*.taz | zcat | tar xvf cat: No match. zcat: stdin: unexpected end of file tar: Old option `f' requires an argument. Try `tar --help' or `tar --usage' for more information. naveed/g03root> cat mnt/pnt/tar*.taz | zcat | tar xvf - cat: No match. zcat: stdin: unexpected end of file naveed/g03root> chgrp -R grp g03 chgrp: invalid group `grp' naveed/g03root> |
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I am having the same problem as the previous user. The command line is this one: candeias/G03> cat $mntpnt/tar/*.taz | zcat | tar xvf - cat: No match. zcat: stdin: unexpected end of file why is this happening?... I have already set all the variables. Help, please!!! |
where do you do research and what topics? i'm in FIU and we do PES
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forgive my retardedness, PES?? what's that?
I'm a Wichita State University primarily doing semi empircal with Cache 6.0 but I thought I would give it a shot at gaussian on a linux system on an athlon 64 machine running 64bit This actually is a can of worms and for a linux newbie is a double can of worms because you don't understand what the hell is going on in linux! <sigh> its something to do with the way the permissions are set of gaussian and all goes back to some stupid copyright related issue (well thats what a graduate student told me anyway) |
PES = potential energy surfaces. it calculates a gradient of the surface potential energy of atomic structures of reactions and intermediates using atomic and molecular geometries as parameters.
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Anyone got Gaussian 03 to work under suse 10.1?
When compiling it stop with this error: util.so: undefined reference to `pthread_kill_other_threads_np' Any ideas? Thanks, Marcelo. |
Gaussian 03 under SUSE 10 ENT (which is like SUSE 10.1) on a AMD Opteron 280 systems (Tyan GT24) and Portland PGI 5.1 Fortran. I am having some problems with this library lpgthread. Just to get Gaussian 03 D02 to start to compile I had to install the comtat-g77 rpm and create a file called localrc in /usr/pgi/linux86-64/5.1/bin that looked like this...
set LFC=-lg2c; set LDSO=/lib64/ld-linux-x86-64.so.2; set GCCDIR=/usr/lib64/gcc/x86_64-suse-linux/4.1.0; set GCCINC=/usr//include; set G77DIR=usr/lib64/gcc/x86_64-suse-linux/4.1.0; set THROW=__THROW=; But it would hang at -lpgthread library part. I then downloaded the PGI 6.2 compiler from Portland and installed. Was then able to get Gaussian 03 D02 to compile. But when I went to check if it works I get this error. ( I do get all 80 *.exe files). I set my env GAUSS_SCRDIR=/home/scratch/(username) export GAUSS_SCRDIR g03root=/usr/local/ export g03root source "$g03root/g03/bsd/g03.profile" $> g03 test001.com Segmentation fault Anybody have any ideas ... |
same here
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