My Community

Hi,

When compiling vasp on Itanium2 system with the Intel Fortran
compiler, I get a warning about the code in elpol.f90.

Although this is merely a warning, I do wonder whether there's
something not correct here.

(I get same warning when compiling mpi version of vasp).

Rob.

[...cut previous lines....]
./preprocess <elpol.F | /usr/bin/cpp -P -C -traditional >elpol.f90
-DHOST=\"LinuxEFC_mkl\" -DnoSTOPCAR -Dkind8 -DNGXhalf
-DCACHE_SIZE=16000 -DPGF90 -Davoidalloc -DRPROMU_DGEMV
-DRACCMU_DGEMV -DNBLK_default=64 -Duse_cray_ptr
/opt/intel/fc/9.1.036/bin/ifort -FR -lowercase -cm -w95 -tpp2
-safe_cray_ptr -ftz -I/opt/intel/fc/9.1.036/include
-I/opt/intel/mkl/8.1.1/include -O3 -unroll0 -ivdep_parallel -fno-alias
-c elpol.f90
fortcom: Warning: elpol.f90, line 663: The statement following this
DEC loop optimization directive must be an iterative do-stmt, a vector
assignment, an OMP pdo-directive, or an OMP parallel-do-directive.
!DIR$ IVDEP
------^
[...cut remaining lines

thank you for that hint, the doloop vector-directive has to be put outside the do statement. Sorry for the misprint in the code, it will be corrected today. If you do not want to download vasp again, please simply make the following change:
old: line 690 ff. in elpol.F
DO L =1,LMMAXC
!DIR$ IVDEP
!OCL NOVREC
CPROJ(L+NPRO,NB)=CPROJ(L+NPRO,NB)*EXP(CGDR)*CVALUE
ENDDO

new
!DIR$ IVDEP
!OCL NOVREC
DO L =1,LMMAXC
CPROJ(L+NPRO,NB)=CPROJ(L+NPRO,NB)*EXP(CGDR)*CVALUE
ENDDO

Just out of curiosity, as you state "if you don't want to download vasp again".

When I access the vasp server, I see only not-so-uptodate versions of vasp:

There is vasp.4.6.tar.gz from July 25 2005

And there's the vasp.4.6 directory, which strangely has even an
older tag in main.F from 26 Jun 2005 !?!?

So from where can I download recent patched versions of vasp?

Somewhat earlier, when I discussed problems getting vasp
compiled with the GNU gfortran compiler, someone on the
gfortran mailing list pointed out to me that my vasp version
of July 25 2005 was rather old; there should already be an
improved 2006 version around; is there?

Regards,
Rob.

you are right, the last version dates back to June 2005.
No major bugs have been discovered since then.