First, I try to compile vasp5.2 using pgi6.12 but i found that I can not use it to compile this code. Then, I try to use pgi7.0.2 to compile vasp5.2 again. now, everythings seem to be ok... but in the final it shows an error messages.
mymath.o(.text+0x34be): In function `mymath_svdvalvec_':
: undefined reference to `dgebrd_'
mymath.o(.text+0x3ad5): In function `mymath_svdvalvec_':
: undefined reference to `dorgbr_'
mymath.o(.text+0x3b2e): In function `mymath_svdvalvec_':
: undefined reference to `dorgbr_'
mymath.o(.text+0x3ba4): In function `mymath_svdvalvec_':
: undefined reference to `dbdsqr_'
make: *** [vasp] Error 2
What is the main problem for this ? Is it due to my compiler ?
If it 's due to compiler, please suggest me the ver. of PGI that should be ok for vasp5.2.
vasp5.2 compilation problem
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 30
- Joined: Wed Jun 27, 2007 8:34 am
- License Nr.: 5-1721
- Location: Bangkok, Thailand
vasp5.2 compilation problem
Last edited by chorawut on Thu Sep 10, 2009 5:06 pm, edited 1 time in total.
-
- Newbie
- Posts: 30
- Joined: Wed Jun 27, 2007 8:34 am
- License Nr.: 5-1721
- Location: Bangkok, Thailand
vasp5.2 compilation problem
Ok...now, I can solve this problem. The main problem is ...
first, I set
LAPACK= ../vasp.5.lib/lapack_atlas.o -llapack -lcblas
It must be set to this
LAPACK= ../vasp.5.lib/lapack_double.o -llapack -lcblas
then I can compile both serial and mpi
first, I set
LAPACK= ../vasp.5.lib/lapack_atlas.o -llapack -lcblas
It must be set to this
LAPACK= ../vasp.5.lib/lapack_double.o -llapack -lcblas
then I can compile both serial and mpi
Last edited by chorawut on Sat Sep 12, 2009 7:02 am, edited 1 time in total.