[molpro-user] "gmainv1 failure" error

[Chiorescu Ion]

Dear Molpro community,

       

       I am using the trial version of molpro to perform CCSD(T)
computations on some Ruthenium complexes. I have a problem running molpro
with large amount of memory set 400 Mw (as required for CCSD(T)
calculations). Although I have 4 Gb of RAM on my computer, it seems that
only 2 Gb might be used by the program. There is obviously a system problem,
but I am not able to find an adequate solution for it. Browsing the errors
reported on the internet, I found the same problem reported previously (for
example:
<http://www.ccl.net/chemistry/resources/messages/2005/09/03.006-dir/index.ht
ml>
http://www.ccl.net/chemistry/resources/messages/2005/09/03.006-dir/index.htm
l ) and I think you could have a solution for me. The original error is: 

       

       ****

       /opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe, len=48

          -master, len=7

       localhost.localdomain, len=24

            56736, len=5

                1, len=1

                1, len=1

                0, len=1

                0, len=1

       Failure in attempting memory allocation of 400230002 words (3053
Mbyte)

       This error has been generated by the operating system,

       and may be the result of insufficient system memory or paging space

       In order to avoid the problem in the MOLPRO context,

       consider also reducing the requested memory through

       the MEMORY input command, or the -m command line option

       gmainv1 failure to allocate 400230002

       

        GLOBAL ERROR fehler on processor   0


       tmp =
/home/chioresc/pdir//opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe.p

        Creating: host=localhost.localdomain, user=chioresc,

                  file=/opt/molpro/bin/molprop_2008_1_Linux_i686_i4.exe,
port=56736

       ****

       

       I am looking forward to provide any further data you might need,

       Best regards,

       Ion Chiorescu

 

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