Gaussian installation on Athlon XP 2000
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Sai Ganesh Ramesh ramash at chem.wisc.eduMon Sep 23 11:06:57 PDT 2002
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Hello, I'm a graduate student at UW-Madison in the US. Sorry for bothering you but my lab has new Athlon machines on which we want to get Gaussian 98 running in the Linux mode. I've got the ATLAS program to get the tuned BLAS libraries out of but for some reason things seem to be failing at one stage or another. I found your posting on the ccl.net site and thought you might be able to help. 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 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 symbol s_wsfe'. I tried to use grep to find subroutines/files with that name somewhere but that resulted in not finding it anywhere in the g98 or ATLAS installation directory. The deal with another Athlon machine is that it won't compile the tuned libraries themselves and the machine just shuts down somewhere in between. I probably shouldn't try that again for fun. I'm really stuck here and would be glad to have any bit of help from you. I'm not conversant with Linux system administration. So if there is something complication to be done please break it down as best as you can. Again, sorry about bothering you but I really need some advice. Regards Sai
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