compilation problem Opteron ifort mkl mpich

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.


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uschmidt
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compilation problem Opteron ifort mkl mpich

#1 Post by uschmidt » Mon Nov 27, 2006 7:48 am

Dear all, I have trouble with the compilation of vasp 4.6 with fftw-3.1.2, mpich-1.2.6, and ifort 9.1.0-39 and mkl 8.0.2.

The compilation stoped at:
mpif90 -FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -e95 -vec_report3 -c fft3dlib.f90
ifort: Command line warning: ignoring option '-p'; no argument required
fortcom: Error: Unrecognized keyword "stderrors" for option "-warn stderrors"
compilation aborted for fft3dlib.f90 (code 1)
make: *** [fft3dlib.o] Error 1

I googgled only one hint concerning this in chineese, but I am not able to understand it.
My Makefile:
.SUFFIXES: .inc .f .f90 .F
#-----------------------------------------------------------------------
-------------------------------------------------------------
FC=ifort
# fortran linker
FCL=$(FC)

#-----------------------------------------------------------------------

CPP_ = ./preprocess <$*.F | /usr/bin/cpp -P -C -traditional >$*$(SUFFIX)

CPP = $(CPP_) -DHOST=\"LinuxIFC\" \
-Dkind8 -DNGXhalf -DCACHE_SIZE=12000 -DPGF90 -Davoidalloc \
-Duse_cray_ptr
#
# -DRPROMU_DGEMV -DRACCMU_DGEMV

#-----------------------------------------------------------------------
# general fortran flags (there must a trailing blank on this line)
#-----------------------------------------------------------------------
FFLAGS = -FR -lowercase -assume byterecl -I/data/include
#-----------------------------------------------------------------------
OFLAG=-O3 -xW -tpp7

OFLAG_HIGH = $(OFLAG)
OBJ_HIGH =

OBJ_NOOPT =
DEBUG = -FR -O0
INLINE = $(OFLAG)

#-----------------------------------------------------------------------
BLAS = -L//data/intel/mkl/8.0.2/lib/em64t -lmkl_em64t -lguide -lpthread
LAPACK= -lmkl_lapack
LINK = -lsvml -L/data/intel/mkl/8.0.2/lib/em64t
#-----------------------------------------------------------------------

LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(BLAS)

# options for linking (for compiler version 6.X, 7.1) nothing is required
LINK =
LINK = -L/data/intel/fce/9.1.039/lib/ -lsvml
#-----------------------------------------------------------------------

FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
#=======================================================================
# MPI section, uncomment the following lines

FC=mpif90
FCL=$(FC)
#-----------------------------------------------------------------------

CPP = $(CPP_) -DMPI -DHOST=\"LinuxIFC\" -DIFC -Dkind8 -DNGZhalf -DCACHE_SIZE=4000 -DPGF90 \
-Davoidalloc -DMPI_BLOCK=2000 -Duse_cray_ptr

#-----------------------------------------------------------------------

BLACS=/data//BLACS
SCA_=/data/SCALAPACK

SCA= $(SCA_)/libscalapack.a \
$(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a $(BLACS)/LIB/blacs_MPI-LINUX-0.a $(BLACS)/LIB/blacsF77init_MPI-LINUX-0.a


#-----------------------------------------------------------------------
# libraries for mpi
#-----------------------------------------------------------------------

LIB = -L../vasp.4.lib -ldmy \
../vasp.4.lib/linpack_double.o $(LAPACK) \
$(SCA) $(BLAS)

# FFT3D = fftmpiw.o fftmpi_map.o fft3dlib.o /data/lib/libfftw3.a
FFT3D = fftmpi.o fftmpi_map.o fft3dlib.o
#-----------------------------------------------------------------------
# general rules and compile lines
.....................and so on with default content...................

If anyone can give me a hint, what to do I would be appreciative

Udo Schmidt
Last edited by uschmidt on Mon Nov 27, 2006 7:48 am, edited 1 time in total.

tjf
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Location: Leiden, Netherlands

compilation problem Opteron ifort mkl mpich

#2 Post by tjf » Mon Nov 27, 2006 10:27 am

-warn stderrors and -prefetch are both ifort arguments, at least for versions 8.1 and 9.1. I'd suggest you look closely at the mpif90 you're using. Which version of ifort is it invoking?
Last edited by tjf on Mon Nov 27, 2006 10:27 am, edited 1 time in total.

uschmidt
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Posts: 3
Joined: Mon Nov 27, 2006 7:06 am

compilation problem Opteron ifort mkl mpich

#3 Post by uschmidt » Tue Nov 28, 2006 1:18 pm

I can now successful compile. I removed -e95 "Causes the compiler to issue errors instead of warnings for nonstandard Fortran 95" ffrom the line:
-FR -lowercase -O1 -tpp7 -xW -prefetch- -prev_div -unroll0 -e95 -vec_report3 -c $*$(SUFFIX)
Also -prefetch- -prev_div can be removed, because its only for 32bit-Systems (The line is extract from makefile.linux_ifc_opt )
Last edited by uschmidt on Tue Nov 28, 2006 1:18 pm, edited 1 time in total.

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