My Community

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.

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