From chemistry-request {*at*} server.ccl.net Fri Aug 2 03:36:26 2002 Received: from thor.chem.sdu.dk ([130.225.142.15]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g727aQf03118 for ; Fri, 2 Aug 2002 03:36:26 -0400 Received: from localhost (tetz- at -localhost) by thor.chem.sdu.dk (SGI-8.9.3/8.9.3) with ESMTP id JAA75912 for ; Fri, 2 Aug 2002 09:38:38 +0200 (MDT) Date: Fri, 2 Aug 2002 09:38:37 +0200 From: Per Tetzschner Olsen To: chemistry %-% at %-% ccl.net Subject: Problems with Linda in gaussian 98 Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL I have ran into a problem with g98. I am trying to use linda on a linux cluster, but I received an error after I submitted the job. I would appreciate any help. The submitted job: #! /bin/csh #PBS -l nodes=4 set node_list = '"'`cat $PBS_NODEFILE`'"' setenv GAUSS_LFLAGS "-nodelist $node_list" setenv g98root /usr/local/lib source $g98root/g98/bsd/g98.login setenv GAUSS_EXEDIR $g98root/g98 setenv GAUSS_SCRDIR /scratch setenv PATH ${PATH}":/usr/local/lib/g98/linda/intel-linux2.4/bin" /usr/local/lib/g98/bsd/g98l < /home/tetz/3mintpm3.inp > /home/tetz/3mintpm3.out I have used %nproclinda=4 instead of normal %nproc=4 in my .inp - file The error I received from my submitted job: setenv GAUSS_EXEDIR /usr/local/lib/g98/linda-exe:/usr/local/lib/g98 g98 /usr/local/lib/g98/linda-exe/l302.exel: error while loading shared libraries: util.so: cannot open shared object file: No such file or directory ntsnet: too many workers exited to continue ntsnet: needed: 3, started: 3, died: 1 first of all util.so exists in that library, so I believe could be an error loading the proper path but that is just a guess. the gaussian job crashes after l301, but that is no surprise. I hope someone can enlighten my unexperienced linda way With regards Per Tetzschner University of Southern Denmark 5230 Odense M Denmark