[molpro-user] SOS: URGENT HELP PLEASE!!!!!!!!

[Shireen Falah]

Dear Molpro people, 
I have posted this email few days ago but I did got any reply. 
I desperately need to run my jobs and all my research is postponed and I cannot 
figure away to make this molpro version works. 

Is it a bug or what? 
I wonder why one should pay for a license if it does not work for him? 
I need to use this version because I have large active space and the 2008 
version fails here!!!!
I am deeply needing any help or hints to save my work and have my jobs running?!
Looking forward for any help, please!!!!!!
Best regards
Sherin Alfalah



----- Forwarded Message ----
From: Shireen Falah <shireen.alfalah at yahoo.com>
To: molpro-user at molpro.net
Sent: Sun, March 27, 2011 2:16:37 PM
Subject: Fw: molpro jobs keeps crashing!!!!


Dear Molpro users, 

As an addition to my previous email (molpro jobs keeps crashing!), I am 
attaching the batch job file which contains some lines saying: 


Last System Error Message from Task 0:: Inappropriate ioctl for device
Last System Error Message from Task 1:: No such file or directory
0:Segmentation Violation error, status=: 11
(rank:0 hostname:XXXXXXXXXXXXXpid:4179):ARMCI DASSERT fail. 
src/signaltrap.c:SigSegvHandler():312 cond:0
  0: ARMCI aborting 11 (0xb).
1:Segmentation Violation error, status=: 11
(rank:1 hostname:XXXXXXXXXXXXXpid:4184):ARMCI DASSERT fail. 
src/signaltrap.c:SigSegvHandler():312 cond:0
  0: ARMCI aborting 11 (0xb).
  1: ARMCI aborting 11 (0xb).
system error message: Invalid argument
  1: ARMCI aborting 11 (0xb).
system error message: Invalid argument

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!!!
Jobs that used to work before, does not work now!!!
Any help would be highly appreciated!
Best regards
Sherin Alfalah



----- Forwarded Message ----
From: Shireen Falah <shireen.alfalah at yahoo.com>
To: molpro-user at molpro.net
Sent: Sat, March 26, 2011 5:49:32 PM
Subject: molpro jobs keeps crashing!!!!


Dear Molpro users: 
I have a continuouslly crashign job because of memory setting! 
The scratch direcotory where my job is running is almost empty, so there 
is enough space on the directory where the calculations are running. 

I have parrallel molporo 2010, patch level 1. 
I have installed the pre-compiled version. 
I run molpro using the command line: 
/usr/local/bin/molpro -d $workdir/molpro/$1 -n 2 $1.input
and somtimes I try:
/usr/local/bin/molpro -d $workdir/molpro/$1 $1.input
but nothing work. 
A sample input and output files are attached to this email. 
I do not know how to have my files runnign and I do not know what is the 
problem!
Thanks in advance
Best regards
Sherin Alfalah
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