Instalation error in a 64-bits system running under centos 4.4

Message

TomÃ¡s · #1 Post by **TomÃ¡s** » Mon Mar 26, 2007 8:08 am

Hi!

I am trying to install VASP in a 64-bits cluster running under centos 4.4 (free version of Red Hat) . I am getting this error message:

"ifort -FR -lowercase -O1 -tpp7 -xW -prefetch- -unroll0 -e95 -vec_report3 -c fft3dlib.f90
fortcom: Error: Unrecognized keyword "stderrors" for option "-warn stderrors"
compilation aborted for fft3dlib.f90 (code 1)
make: *** [fft3dlib.o] Error 1 "

The compiler is ifort (Intel Fortran compiler 9.1)

Could anyone help me?

Thanks

TomÃ¡s

lahaye · #2 Post by **lahaye** » Tue Mar 27, 2007 5:38 am

I have: CentOS release 4.4 (Final)
with: Linux hp 2.6.9-42.0.3.EL #1 SMP ia64 GNU/Linux

You're probably using the wrong Makefile, or made the wrong
changes in there. My Makefile has these settings:
FFLAGS = -FR -lowercase -assume byterecl -safe_cray_ptr -tpp2 -ftz
OFLAG=-O3 -unroll0 -ivdep_parallel -fno-alias

this works like a charm!

By the way: be careful with the "-assume byterecl", since that can
cause issues when exchanging binary (e.g. WAVECAR) files with other
systems.

Cheers,
Rob.

TomÃ¡s · #3 Post by **TomÃ¡s** » Tue Mar 27, 2007 8:10 am

Hi everybody!
Hi Rob
Thank you very much for your answer. We have included the options you told us but the problem still remains. The compilation fails at the same point. We have tried other makefiles as that of HP. The installed libraries are OpenMPI, MPICH, Blas, Lapack and Intel MKL. The compilator is Intel Fortran Compiler 9.

Thanks

TomÃ¡s

lahaye · #4 Post by **lahaye** » Tue Mar 27, 2007 1:04 pm

Hi TomÃ¡s,

What is your OS? HP-Unix? I'm using Linux/CentOS.

Why do you need Blas and/or Lapack?
You can use MKL instead, I think.
These are my settings in the Makefile:

# use the mkl Intel libraries for Itanium (www.intel.com)
# set -DRPROMU_DGEMV -DRACCMU_DGEMV -DNBLK_default=64
# in the CPP lines
BLAS=-L/opt/intel/mkl/8.1.1/lib/64 -lmkl_i2p -lmkl_vml_i2p -lvml -lmkl \
-L/opt/intel/fc/9.1.036/lib -lguide
LAPACK= -L/opt/intel/mkl/8.1.1/lib/64 -lmkl_lapack64

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

LINK =
FFT3D = fft3dfurth.o fft3dlib.o

Could that help?

Rob.

TomÃ¡s · #5 Post by **TomÃ¡s** » Tue Mar 27, 2007 1:11 pm

Hi Rob
Our OS is Linux/CentOS
I'll tell you as soon as possible if these new things you purpose work

Thanks again

#6 Post by **admin** » Wed Mar 28, 2007 10:08 am

the abortion of th compilation is due to the -e95 compiler flag which causes the compiler to give an error (instead of a warning) if non-standard f95 fortran code is detected.
on our machines, this error cannot be reproduced.
actually, ifort should be backwards-compatible (i.e. standard fortran77 code has to be compiled properly as well).
please check (with some fft3dlib.f90 file on some other machine which could be compiled) if the .f90 files differ
--) if yes : there must be an error in the installation of the precompiler on your new machine
--) if no : please simply omit the -e95 compiler flag and ignore the compiler warnings, any f90 compiler has to handle f77
standard code properly.