regarding installation of vasp

Questions regarding compilation of VASP on various platforms.

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regarding installation of vasp

Postby Rajkumar » Mon Feb 04, 2013 8:48 am

i am trying to instal vasp in a cluster where i dont have the root privilege. i am getting the following error..

main.f90:(.text+0x24387): undefined reference to `wforce_'
main.f90:(.text+0x4520e): undefined reference to `reopen_'
pardens.f90:(.text+0x10c7): undefined reference to `clean_'
pardens.f90:(.text+0x10d3): undefined reference to `nxtfru_'
../vasp.4.lib/libdmy.a(dlexlib.o): In function `replac_':
../vasp.4.lib/libdmy.a(drdatab.o): In function `rdatab_':

could throw me some suggestions
Last edited by Rajkumar on Mon Feb 04, 2013 8:48 am, edited 1 time in total.
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regarding installation of vasp

Postby admin » Tue Feb 05, 2013 3:26 pm

the routines that cause the error should all be compiled with the vasp.4.lib, therefore please
1) check whether the link to the vasp.4.lib is correct in your makefile
2) the vasp.4.lib code has to be compiled BEFORE vasp.4.6
3) it may be necessary to remove the remnants of previous compilations of the vasp.4.lib before re-compiling: please remove libdmy.a and *.o before you re-compile the vasp-library
Last edited by admin on Tue Feb 05, 2013 3:26 pm, edited 1 time in total.
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regarding installation of vasp

Postby lengdetianxia » Tue Apr 16, 2013 4:14 pm

I have encountered the same problem when I tried to compile Vasp4.6, and I successfully resove it in the following way:
I recompiled the vasp.lib with FC=ifort (I use intel fortran compiler) and then compiled vasp successfully.
Last edited by lengdetianxia on Tue Apr 16, 2013 4:14 pm, edited 1 time in total.
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