Gaussian installation on Athlon XP 2000

Richard Walsh rbw at ahpcrc.org
Mon Sep 23 17:00:16 EDT 2002


Sai writes:

>The ATLAS library on one of the machines compiles and gives me the
>files libatlas.a, libstatlas.a, libcblas.a, libf77blas.a, liblapack.a
>which I take as being the tuned libraries needed for G98 installation. I
>put these files in the appropriate directory. Our systems expert helped

 The Gaussian release document does not recommend that you compile your
 own and distributes the libraries on the release CD-ROM.  They have 
 funny names (not the ones listed in the release doc or in you mail), but 
 you can tell by the size and PIII prefix which is which. Use the distributed
 libraries on the CD-ROM.

>with manupilating the script so that G98 executables get compiled (pgf77
>is available). That worked but now when I try to run test jobs g98
>complains saying '.../l1.exe relocation error : .../util.so: undefined

 You also could be having a problem with your LD_LIBRARY_PATH variable.
 Comments from Doug Fox below outline the issues and remedy:

  >>
  >>    This file is located by the environment variable LD_LIBRARY_PATH
  >> and the g98.login script adds the $g98root/g98 directory to this path.
  >> The most common problem is that others cannot read the file.  The second
  >> is that g98.login is not being source'd by users.
  >> 
  >>    The easiest set of protections is
  >>    
  >> cd $g98root
  >> chmod -R a+rx g98
  >> 
  >> then make sure the lines
  >> 
  >> setenv g98root /xxx/yyy
  >> source $g98root/g98/bsd/g98.login
  >> 
  >> are in the .cshrc file for each G98 user.
  >> 
  >>   g98l actually runs g98 but after resetting the executable search
  >> path so that Linda versions are found.  Opening the permissions to
  >> read permissions for all is important for requests to read this file
  >> from remote machines. 


Best of luck,

rbw
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