<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 Molpro people, </DIV>
<DIV>I have posted this email few days ago but I did got any reply. </DIV>
<DIV>I <STRONG>desperately </STRONG>need to run my jobs and all my research is postponed and I cannot figure away to make this molpro version works. </DIV>
<DIV>Is it a bug or what? </DIV>
<DIV>I wonder why one should pay for a license if it does not work for him? </DIV>
<DIV>I need to use this version because I have large active space and the 2008 version fails here!!!!</DIV>
<DIV><STRONG>I am deeply needing any help or hints to save my work and have my jobs running?!</STRONG></DIV>
<DIV>Looking forward for any help, please!!!!!!</DIV>
<DIV>Best regards</DIV>
<DIV>Sherin Alfalah<BR></DIV>
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<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt"><FONT size=2 face=Tahoma>----- Forwarded Message ----<BR><B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Shireen Falah <shireen.alfalah@yahoo.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> molpro-user@molpro.net<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Sun, March 27, 2011 2:16:37 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> Fw: molpro jobs keeps crashing!!!!<BR></FONT><BR>
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<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt">Dear Molpro users, <BR>
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<DIV>As an addition to my previous email (molpro jobs keeps crashing!), I am attaching the batch job file which contains some lines saying: <BR><BR><SPAN style="FONT-STYLE: italic">Last System Error Message from Task 0:: Inappropriate ioctl for device</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">Last System Error Message from Task 1:: No such file or directory</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">0:Segmentation Violation error, status=: 11</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">(rank:0 hostname:</SPAN><SPAN style="FONT-STYLE: italic; TEXT-DECORATION: underline">XXXXXXXXXXXXX</SPAN><SPAN style="FONT-STYLE: italic">pid:4179):ARMCI DASSERT fail. src/signaltrap.c:SigSegvHandler():312 cond:0</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic"> 0: ARMCI aborting 11 (0xb).</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE:
italic">1:Segmentation Violation error, status=: 11</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">(rank:1 hostname:</SPAN><SPAN style="FONT-STYLE: italic; TEXT-DECORATION: underline">XXXXXXXXXXXXX</SPAN><SPAN style="FONT-STYLE: italic"> pid:4184):ARMCI DASSERT fail. src/signaltrap.c:SigSegvHandler():312 cond:0</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic"> 0: ARMCI aborting 11 (0xb).</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic"> 1: ARMCI aborting 11 (0xb).</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">system error message: Invalid argument</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic"> 1: ARMCI aborting 11 (0xb).</SPAN><BR style="FONT-STYLE: italic"><SPAN style="FONT-STYLE: italic">system error message: Invalid argument</SPAN><BR><BR>I have tried to install MOLPRO batch level 13 and also I have installed the latest
global arrays version but my problem is not solved yet!!!<BR><SPAN style="FONT-WEIGHT: bold">Jobs that used to work before, does not work now!!!</SPAN><BR>Any help would be highly appreciated!<BR>Best regards<BR>Sherin Alfalah<BR></DIV>
<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt"><BR>
<DIV style="FONT-FAMILY: times new roman, new york, times, serif; FONT-SIZE: 12pt"><FONT size=2 face=Tahoma>----- Forwarded Message ----<BR><B><SPAN style="FONT-WEIGHT: bold">From:</SPAN></B> Shireen Falah <shireen.alfalah@yahoo.com><BR><B><SPAN style="FONT-WEIGHT: bold">To:</SPAN></B> molpro-user@molpro.net<BR><B><SPAN style="FONT-WEIGHT: bold">Sent:</SPAN></B> Sat, March 26, 2011 5:49:32 PM<BR><B><SPAN style="FONT-WEIGHT: bold">Subject:</SPAN></B> molpro jobs keeps crashing!!!!<BR></FONT><BR>
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<DIV>Dear Molpro users: </DIV>
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<DIV>I have a continuouslly crashign job because of memory setting! </DIV>
<DIV>The scratch direcotory where my job is running is almost empty, so there is enough space on the directory where the calculations are running. </DIV>
<DIV>I have parrallel molporo 2010, patch level 1. </DIV>
<DIV>I have installed the pre-compiled version. </DIV>
<DIV>I run molpro using the command line: </DIV>
<DIV>/usr/local/bin/molpro -d $workdir/molpro/$1 -n 2 $1.input</DIV>
<DIV>and somtimes I try:</DIV>
<DIV>/usr/local/bin/molpro -d $workdir/molpro/$1 $1.input<BR>but nothing work. </DIV>
<DIV>A sample input and output files are attached to this email. </DIV>
<DIV>I do not know how to have my files runnign and I do not know what is the problem!</DIV>
<DIV>Thanks in advance</DIV>
<DIV>Best regards</DIV>
<DIV>Sherin Alfalah</DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></div></body></html>