VASP on Globus

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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swan2925
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VASP on Globus

#1 Post by swan2925 » Tue May 31, 2005 3:17 am

We have a Globus Grid (GT v3.2.1a),
how could we install VASP on Globus?
We tried MPICH-G2, however, it seems it doesn't have support on f90.

Thanks.
Last edited by swan2925 on Tue May 31, 2005 3:17 am, edited 1 time in total.

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VASP on Globus

#2 Post by admin » Thu Jun 09, 2005 6:53 am

you need a reliably working FORTRAN-90 compiler to install VASP.
Please have a look (or ask your system manager) which compiler is installed on your machines and choose the most appropriate makefile from the list of makefiles which are delivered with the code.
Last edited by admin on Thu Jun 09, 2005 6:53 am, edited 1 time in total.

swan2925
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VASP on Globus

#3 Post by swan2925 » Sun Jun 12, 2005 10:32 am

We are using ifc 7.1, when building mpich-g2, it won't build mpif90, however, it does build the mpif90 when configured without globus flag.

Do you have any successful reports of runing VASP on globus? What are their environment? Using Lam with globus support or vendor supplied MPICH? If you have such information, please let us know.

Thanks.
Last edited by swan2925 on Sun Jun 12, 2005 10:32 am, edited 1 time in total.

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