[molpro-user] FCI max iterations

Jussi Eloranta jmeloranta at gmail.com
Thu Mar 25 15:05:55 GMT 2010

Hi Peter,

On 03/25/2010 12:19 AM, Peter Knowles wrote:
> There used to be a hard-coded limit, but it was converted to dynamic quite some time ago. Are you using version 2009.1 or something earlier?
This was indeed the 2006 version. I do have 2009 but I cannot get the 
parallel version to run on new Fedora distributions. I have talked to  
Dr. Wang about this earlier and he mentioned that there is some sort of 
security related issue on new Fedoras. Specifically the output that I 
see is (XXX = hostname, YYY=username; removed):

  Creating: host=XXX, user=YYY,
            file=/local/bin/molprop_2009_1_Linux_x86_64_i8.exe, port=55638
/local/bin/molprop_2009_1_Linux_x86_64_i8.exe, len=45
    fci.com, len=7
    -master, len=7
XXX, len=14
      55638, len=5
          1, len=1
          1, len=1
          0, len=1
          0, len=1
   0: TcpNoDelay: getprotobyname on TCP failed! -1 (0xffffffffffffffff).
   0: TcpNoDelay: getprotobyname on TCP failed! -1 (0xffffffffffffffff).
system error message: Bad file descriptor
   1: interrupt(1)

The serial code seems to work fine (although it is 32bit and can't run 
it in parallel).

Jussi Eloranta
Cal State Northridge

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