[Pw_forum] PGI Compiler problem while configuring Parallel Environment

[Axel Kohlmeyer]

On 7/5/06, Sigifredo Sanchez-Carrera <gtg166n at mail.gatech.edu> wrote:
> Dear PWscf user:
>
> I am trying to compile Espresso-3.1 using the Portland Complier, PGI 5.1 in 64

are you sure, this is PGI 5.1? and not PGI 6.1?
the pgf90 compiler from anything by the latest PGI 6.1 releases
is know to have a lot of problems with many scientific fortran95
codes (and fortran77, too). if you are still using 5.1, i recommend
an upgrade (if possible try a non-PGI compiler, too).

ciao,
    axel.

> bit mode. The cluster that I am trying to run it on has an x86-64 architecture
> with AMD opteron CPUs. When I run the configure script it reads as follows:
>
> =====================
> The following libraries have been found:
>   BLAS_LIBS= -lblas
>   LAPACK_LIBS= -llapack
>   FFT_LIBS= -lfftw
> Please check if that is correct.
>
> If any libraries are missing, you may specify a list of directories
> to search and retry, as follows:
>   ./configure LIBDIRS="list of directories, separated by spaces"
>
> Parallel environment detected successfully.
> Configured for compilation of parallel executables.
> =====================
>
> But, when I try the "make pw" command, it gave me the following error message:
>
> =====================
> PGF90-S-0034-Syntax error at or near identifier iotk_str_clean
> (iotk_str_interf.F90: 346)
> PGF90-S-0310-Missing ENDINTERFACE statement  (iotk_str_interf.F90: 348)
>   0 inform,   0 warnings,   2 severes, 0 fatal for iotk_str_interf
> make[2]: *** [iotk_str_interf.o] Error 2
> make[2]: Leaving directory `/QE-31/espresso-3.1/iotk/src'
> make[1]: *** [libiotk.a] Error 2
> make[1]: Leaving directory `/QE-31/espresso-3.1/iotk'
> make: *** [libiotk] Error 2
> =====================
>
>
> Does anyone have an idea on how to proceed? I have already checked the PWscf
> list, and actually, I found the same problem being reported by Hai-Ping Lan on
> Thu, 16 Feb 2006 under the subject title of "[Pw_forum] Compiling problem about
> PGI"; but I could not find any answers for this problem.
>
> Thanks for your help,
> Sigifredo Sanchez-Carrera
>
>
> --
> Sigifredo Sanchez-Carrera
>
> Georgia Institute of Technology
> School of Chemistry and Biochemistry
> Boggs 1-90
> 770 State St. NW
> Atlanta, GA 30332-0400
>
> Work   (404) 894 6456
> Home   (404) 206 9531
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>


-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.