[Wien] Error in compiling mpi-parallel version

[Fecher, Gerhard]

Dear Fermin, 
The error message tells you that the line
      integer(), value :: comm
has a syntax error, the compiler tells you in which line of what file

(check the Fortran manual )

I guess it should be
      integer(4), value :: comm
or
      integer*4, value :: comm
or simply
      integer, value :: comm
but a different kind (1, 2, or 8) of the integer comm may also be wanted or  needed, depends on the code.

I made this remark already some time ago.
I slso wonder that not all people recognice that error, are there different versions of this fftw routine distributed ?
(Sorry I don't use it)

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von lung Fermin [ferminlung at gmail.com]
Gesendet: Freitag, 9. Januar 2015 07:02
An: Wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] Error in compiling mpi-parallel version

Dear all,

Recently, I am trying to do a calculation with a supercell of about 100 atoms. Previously I have tried to do it with k-point parallelizatoin but it failed due to insufficient virtual memory. So instead I am moving to the mpi parallelization.

I tried to compile the lapw0 program first at a test. The following is the settings in the Makefile:
----------------------------------------------------------------------------------------------------------------
.SUFFIXES:        .F
.SUFFIXES:        .F90
SHELL = /bin/sh
FC = ifort
MPF = mpif90
CC = cc
FOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -r8
FPOPT = -ffree-form -O2 -m64 -ffree-line-length-none -DFFTW3 -I/usr/local/fftw-3.3.3/mpi -I/usr/local/include
DParallel = '-DParallel'
FGEN = $(PARALLEL)
LDFLAGS = $(FOPT) -L/opt/intel/Compiler/11.1/046/mkl/lib/em64t -pthread
R_LIBS     = -L/usr/local/lib -lmkl_lapack -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread -lguide
RP_LIBS = -lfftw3_mpi -lmkl_scalapack_lp64 -lmkl_solver_lp64 -lmkl_blacs_lp64 $(R_LIBS)
-------------------------------------------------------------------------------------------------------------------
The following error is reported:

touch .parallel
make PARALLEL='-DParallel' ./lapw0_mpi \
          FORT=mpif90 FFLAGS=' -ffree-form -O2 -m64 -ffree-line-length-none -DFFTW3 -I/usr/local/fftw-3.3.3/mpi -I/usr/local/include '-DParallel''
make[1]: Entering directory `/home/stretch/WIEN2k/SRC_lapw0'
cc -c cputim.c
mpif90 -ffree-form -O2 -m64 -ffree-line-length-none -DFFTW3 -I/usr/local/fftw-3.3.3/mpi -I/usr/local/include -DParallel -c modules.F
mpif90 -ffree-form -O2 -m64 -ffree-line-length-none -DFFTW3 -I/usr/local/fftw-3.3.3/mpi -I/usr/local/include -DParallel -c fft_modules.F
fftw3-mpi.f03:33.14:
    Included at fft_modules.F:69:

      integer(), value :: comm
              1
Error: Expected initialization expression at (1)
fftw3-mpi.f03:47.14:
    Included at fft_modules.F:69:

      integer(), value :: comm
              1
Error: Expected initialization expression at (1)
fftw3-mpi.f03:57.14:
    Included at fft_modules.F:69:

      integer(), value :: comm
              1
-----------------------------------------------------------------------------------------------------------------
What is the cause of those errors? Any suggestions in solving the issue would be appreciated.

----------------------------------------------------------------------------------------------
P.S. Some details about the system:
* 45-nodes cluster formed by DELL R720/R620 servers (16 cores per node)
* OS  : Rocks 6.1 (CentOS)
* MPI : mpif90 for MVAPICH2 2.0a
* FFTW ver 3.3.3
* MKL ver 11.1.0.080
* Scalapack ver 2.0.2
* WIEN2k ver 14.1
and the setting in the parallel_option file is:
setenv TASKSET "no"
setenv USE_REMOTE 1
setenv MPI_REMOTE 1
setenv WIEN_GRANULARITY 1

-------------------------------------------------------
Thanks and Regards,
Fermin