<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV>Dear Andy, </DIV>
<DIV>Thanks a lot for your email and for your kind advice. </DIV>
<DIV>It seems that it was permissions problem, when I changed the permissions on the scratch directory to 0777, such error messages disappeared. </DIV>
<DIV>Also, Many thanks for the link about the memory specifications. But one point I am wondering about, how can I know the memory needed for each process so as to estimate the needed memory for some job? </DIV>
<DIV>Thanks a lot</DIV>
<DIV>Sherin Alfalah<BR></DIV>
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<B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Andy May <MayAJ1@cardiff.ac.uk><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> Shireen Falah <shireen.alfalah@yahoo.com><BR><B><SPAN style="FONT-WEIGHT: bold">Cc:</SPAN></B> molpro-user@molpro.net<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Tue, March 29, 2011 9:07:35 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Re: [molpro-user] SOS: URGENT HELP PLEASE!!!!!!!!<BR></FONT><BR>Sherin,<BR><BR>1. Without the contents of the include files it is impossible to exactly <BR>replicate what you are trying to do.<BR><BR>2. 2000,m is roughly 16Gb of memory is this correct for the system, see:<BR><BR>http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html<BR><BR>for details on memory specification.<BR><BR>3. You are using patch level 1, please install the highest patch level <BR>version.<BR><BR>4. It appears (without being able to see the other included files)
the <BR>job crashes here:<BR><BR> multi<BR> START,2140.2;<BR><BR>This would occur if /scratch/sherin/molpro/test/test.wf did not exist, <BR>does it? Certainly some file does not exist according to your output:<BR><BR>Last System Error Message from Task 0:: Inappropriate ioctl for device<BR>Last System Error Message from Task 1:: No such file or directory<BR><BR>5. You mention installing a more recent Global Arrays, but this makes <BR>absolutely no sense since you are using a binary version of the code.<BR><BR>Please can you try the above and consult the manual and examples to <BR>check your input is correct.<BR><BR>Best wishes,<BR><BR>Andy<BR><BR>On 29/03/11 16:15, Shireen Falah wrote:<BR>> Dear Molpro people,<BR>> I have posted this email few days ago but I did got any reply.<BR>> I *desperately *need to run my jobs and all my research is postponed and<BR>> I cannot figure away to make this molpro version works.<BR>> Is it a
bug or what?<BR>> I wonder why one should pay for a license if it does not work for him?<BR>> I need to use this version because I have large active space and the<BR>> 2008 version fails here!!!!<BR>> *I am deeply needing any help or hints to save my work and have my jobs<BR>> running?!*<BR>> Looking forward for any help, please!!!!!!<BR>> Best regards<BR>> Sherin Alfalah<BR>><BR>> ----- Forwarded Message ----<BR>> *From:* Shireen Falah <<A href="mailto:shireen.alfalah@yahoo.com" ymailto="mailto:shireen.alfalah@yahoo.com">shireen.alfalah@yahoo.com</A>><BR>> *To:* <A href="mailto:molpro-user@molpro.net" ymailto="mailto:molpro-user@molpro.net">molpro-user@molpro.net</A><BR>> *Sent:* Sun, March 27, 2011 2:16:37 PM<BR>> *Subject:* Fw: molpro jobs keeps crashing!!!!<BR>><BR>> Dear Molpro users,<BR>> As an addition to my previous email (molpro jobs keeps crashing!), I am<BR>> attaching the batch job
file which contains some lines saying:<BR>><BR>> Last System Error Message from Task 0:: Inappropriate ioctl for device<BR>> Last System Error Message from Task 1:: No such file or directory<BR>> 0:Segmentation Violation error, status=: 11<BR>> (rank:0 hostname:XXXXXXXXXXXXXpid:4179):ARMCI DASSERT fail.<BR>> src/signaltrap.c:SigSegvHandler():312 cond:0<BR>> 0: ARMCI aborting 11 (0xb).<BR>> 1:Segmentation Violation error, status=: 11<BR>> (rank:1 hostname:XXXXXXXXXXXXXpid:4184):ARMCI DASSERT fail.<BR>> src/signaltrap.c:SigSegvHandler():312 cond:0<BR>> 0: ARMCI aborting 11 (0xb).<BR>> 1: ARMCI aborting 11 (0xb).<BR>> system error message: Invalid argument<BR>> 1: ARMCI aborting 11 (0xb).<BR>> system error message: Invalid argument<BR>><BR>> I have tried to install MOLPRO batch level 13 and also I have installed<BR>> the latest global arrays version but my problem is not solved yet!!!<BR>> Jobs that
used to work before, does not work now!!!<BR>> Any help would be highly appreciated!<BR>> Best regards<BR>> Sherin Alfalah<BR>><BR>> ----- Forwarded Message ----<BR>> *From:* Shireen Falah <<A href="mailto:shireen.alfalah@yahoo.com" ymailto="mailto:shireen.alfalah@yahoo.com">shireen.alfalah@yahoo.com</A>><BR>> *To:* <A href="mailto:molpro-user@molpro.net" ymailto="mailto:molpro-user@molpro.net">molpro-user@molpro.net</A><BR>> *Sent:* Sat, March 26, 2011 5:49:32 PM<BR>> *Subject:* molpro jobs keeps crashing!!!!<BR>><BR>> Dear Molpro users:<BR>> I have a continuouslly crashign job because of memory setting!<BR>> The scratch direcotory where my job is running is almost empty, so there<BR>> is enough space on the directory where the calculations are running.<BR>> I have parrallel molporo 2010, patch level 1.<BR>> I have installed the pre-compiled version.<BR>> I run molpro using the command
line:<BR>> /usr/local/bin/molpro -d $workdir/molpro/$1 -n 2 $1.input<BR>> and somtimes I try:<BR>> /usr/local/bin/molpro -d $workdir/molpro/$1 $1.input<BR>> but nothing work.<BR>> A sample input and output files are attached to this email.<BR>> I do not know how to have my files runnign and I do not know what is the<BR>> problem!<BR>> Thanks in advance<BR>> Best regards<BR>> Sherin Alfalah<BR>><BR>><BR>><BR>> _______________________________________________<BR>> Molpro-user mailing list<BR>> <A href="mailto:Molpro-user@molpro.net" ymailto="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</A><BR>> http://www.molpro.net/mailman/listinfo/molpro-user<BR></DIV></DIV></div></body></html>