[molpro-user] FCI max iterations

[Konstantin Tokarev]

25.03.10, 18:36, "Jussi Eloranta" <jmeloranta at gmail.com>:

> 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. 

Do you know that 2009.1 actively uses SMP in serial version? Maybe you can get without parallel version?

> 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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>  

-- 
Regards,
Konstantin

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