Could you share with us the input file(s)? Which version of GAMESS-US?
On lunes, 4 de abril de 2016 22:29:11 (CEST) Jörg Saßmannshausen wrote: > Dear all, > > I was wondering whether somebody might be able to shed some light on this > problem I am having with a chemistry code (GAMESS-US): > > DDI Process 15: semop return an error performing 1 operation(s) on semid > 98307. > semop errno=EINVAL. > > This sometimes happens when I need quite a bit of memory for the fortran > code (1550000000 words). Originally I thought it has to do with the > hardware I am running it on but meanwhile I found it all over the place, > i.e. on some older Opterons and on some newer Ivy and Haswell CPUs. > > It is not quite reproducible, unfortunately. A run might work ok for a few > days and then the problem kicks in and the logfile explodes from around 14 > MB to 17 GB, or it might just work. > > Some system informations: I am running Debian Jessie with gcc / gfortran > version 4.9.2-10. The nodes have 64 GB of RAM and 16 or 20 cores. As the > shared memory default settings in Linux are not suitable for GAMESS (there > is a note in the documentation), I am using these settings on the 64 GB RAM > machines: > > kernel.shmmax = 6923000000 > kernel.shmall = 25165824 > kernel.shmmni = 32768 > > I got the feeling the problem lies burried in these settings but my > knowledge here is not sufficient to solve the problem. Could somebody point > me in the right direction here? > > All the best from London > > Jörg -- Dr. Rafael R. Pappalardo Dept. Química Física, Fac. de Química Univ. de Sevilla (Spain) _______________________________________________ Beowulf mailing list, [email protected] sponsored by Penguin Computing To change your subscription (digest mode or unsubscribe) visit http://www.beowulf.org/mailman/listinfo/beowulf
