[Wien] error while compiling lapw0_mpi

[ddsfu]

符徳勝

2014/12/29 3:12、Pascal BOULET <pascal.boulet at univ-amu.fr> のメッセージ:

> Dear Peter,
> 
> Difficult to say: I am using a fftw module compiled by the IT manager of the supercomputer. I am going to try to solve the problem with him.
> 
> Thank you for your response.
> Best,
> Pascal
> 
>> ----------------------------------------
>> From: Peter Blaha <pblaha at theochem.tuwien.ac.at>
>> Sent: Sat Dec 20 15:32:38 CET 2014
>> To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>> Subject: Re: [Wien] error while compiling lapw0_mpi
>> 
>> 
>> Not sure about this problem, but:
>> Did you compile fftw (and openmpi) with cc or icc ??
>> 
>>> Am 20.12.2014 um 11:05 schrieb Pascal Boulet:
>>> Dear all,
>>> 
>>> I have downloaded version 14 of Wien2K. I am trying to compile it on a Intel Xeon parallel computer with ifort(13)/openmpi(1.6.3)/fftw(3.3).
>>> 
>>> I am facing a problem with compiling lapw0_mpi. The error message is shown below.
>>> 
>>> /usr/local/fftw-3.3-intel/include/fftw3-mpi.f03(33): error #5082: Syntax error, found ')' when expecting one of: ( * <IDENTIFIER> <CHAR_CON_KIND_PARAM>
>>> <CHAR_NAM_KIND_PARAM> <CHARACTER_CONSTANT> ...
>>>       integer(), value :: comm
>>> --------------^
>>> 
>>> The other lapwX_mpi packages compile fine and work well.
>>> 
>>> 
>>> Has anyone seen this message before?
>>> 
>>> Thank you for your help.
>>> 
>>> Pascal
>>> 
>>> 
>>> For sake of completeness here are the various compilation options:
>>> 
>>> Compilers:
>>> ifort/cc/mpif90
>>> 
>>> Parallel options:
>>> setenv TASKSET "no"
>>> setenv USE_REMOTE 0
>>> setenv MPI_REMOTE 0
>>> setenv WIEN_GRANULARITY 1
>>> setenv WIEN_MPIRUN "mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_ »
>>> 
>>> Compiler options and libraries:
>>> current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
>>> current:FPOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
>>> current:FFTW_OPT:-DFFTW3 -I/usr/local/fftw-3.3-intel/include
>>> current:FFTW_LIBS:-lfftw3_mpi -lfftw3 -L/usr/local/fftw-3.3-intel/lib
>>> current:LDFLAGS:$(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
>>> current:DPARALLEL:'-DParallel'
>>> current:R_LIBS:-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread
>>> current:RP_LIBS:-lmkl_scalapack_lp64 -lmkl_blacs_lp64 $(R_LIBS)
>>> current:MPIRUN:mpirun -np _NP_ -machinefile _HOSTS_ _EXEC_
>>> current:MKL_TARGET_ARCH:intel64
>>> 
>>> 
>>> 
>>> Pascal Boulet
>>> 
>>> --
>>> pascal.boulet at univ-amu.fr <mailto:pascal.boulet at univ-amu.fr>
>>> Aix-Marseille University
>>> MADIREL Laboratory
>>> Avenue Normandie-Niemen
>>> F-13397 Marseille Cedex 20
>>> Tel.: +33 413.55.18.10
>>> Fax: +33 413.55.18.50
>>> http://allos.up.univ-mrs.fr/pascal/
>>> 
>>> 
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>> 
>> -- 
>> -----------------------------------------
>> Peter Blaha
>> Inst. Materials Chemistry, TU Vienna
>> Getreidemarkt 9, A-1060 Vienna, Austria
>> Tel: +43-1-5880115671
>> Fax: +43-1-5880115698
>> email: pblaha at theochem.tuwien.ac.at
>> -----------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 
> 
> 
>> -----------------
> Pascal Boulet
> Aix-Marseille University 
> MADIREL Laboratory
> Avenue Normandie-Niemen
> 13397 Marseille Cedex 20
> Email: pascal.boulet at univ-amu.fr
> Tel. +33 413 55 18 10
> Fax  +33 413 55 18 50
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html