[Wien] Compilation error

[Fecher, Gerhard]

ld: cannot find -lmkl_scalapack_lp64
means that the linker cannot find a library, please check your setup of the frortran compiler and mkl
and check your envronment variables: LD_LIBRARY_PATH
with siteconfig_lapw check the settings for: LDFLAGS, R_LIBS, and RP_LIBS

the path should be everywhere the same and the library shoould be locatetd in the given directory.

check that everything is typed correctly, maybe you just have a typo in some file.

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 Temuujin Bayaraa [foxtemuujin at gmail.com]
Gesendet: Donnerstag, 1. Oktober 2015 06:11
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Compilation error

Thank you Mr. Gavin Abo and sorry for this late reply.

I have compiled mpif90 with ifort and got following error:

Compile time errors (if any) were:
SRC_dstart/compile.msg:make[1]: *** [dstart_mpi] Error 1
SRC_dstart/compile.msg:make: *** [para] Error 2
SRC_hf/compile.msg:make[1]: *** [hf_mpi] Error 1
SRC_hf/compile.msg:make: *** [rp] Error 2
SRC_hf/compile.msg:make[1]: *** [hfc_mpi] Error 1
SRC_hf/compile.msg:make: *** [cp] Error 2
SRC_lapw0/compile.msg:make[1]: *** [lapw0_mpi] Error 1
SRC_lapw0/compile.msg:make: *** [para] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [rp] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c_mpi] Error 1
SRC_lapw1/compile.msg:make: *** [cp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c_mpi] Error 1
SRC_lapw2/compile.msg:make: *** [cp] Error 2
SRC_lapwso/compile.msg:make[1]: *** [lapwso_mpi] Error 1
SRC_lapwso/compile.msg:make: *** [para] Error 2
SRC_nmr/compile.msg:make[1]: *** [nmr_mpi] Error 1
SRC_nmr/compile.msg:make: *** [rp] Error 2
SRC_nmr/compile.msg:make[1]: *** [nmrc_mpi] Error 1
SRC_nmr/compile.msg:make: *** [cp] Error 2

in dstart compile,msg:

ld: cannot find -lmkl_scalapack_lp64

i have attached the compile.msg.

Please help me on this. I have looked around Mailing list and it seems i can not find right solution for this.

On Thu, May 21, 2015 at 2:56 PM, Gavin Abo <gsabo at crimson.ua.edu<mailto:gsabo at crimson.ua.edu>> wrote:
It looks like you have two problems.

1) make[1]: ifort: Command not found

It looks like cannot find your installed ifort.  Did you source compilervars.sh in .bashrc?

2) mpif90 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io -DFFTW3 -I/home/temuujin/local/include  -DParallel -c module.F
gfortran: buffered_io: No such file or directory
gfortran: unrecognized option '-prec_div'

It looks like your mpif90 is probably compiled with gfortran.  Did you compile mpif90 with ifort?

On Thu, May 21, 2015 at 12:27 AM, Temuujin Bayaraa <foxtemuujin at gmail.com<mailto:foxtemuujin at gmail.com>> wrote:
Thank you for the reply sir,

My supervisor is away on business and i do not have username and passport to download latest version. I have attached my compile message of dstart. I have fully running Wien2k on normal i7 Ubuntu witch gfortran and gcc compilers but i ran into this problem when i wanted to do some calculations on Cluster (Rocks 6.1) with intel compilers. Can you please look into my compile message?

On Mon, May 18, 2015 at 11:17 PM, Gavin Abo <gsabo at crimson.ua.edu<mailto:gsabo at crimson.ua.edu>> wrote:
First, install the latest WIEN2k version (14.2) unless you want to experience the frustration of the WIEN2k 13.1 bugs listed at

http://www.wien2k.at/reg_user/updates/

Second, regarding the errors like f951: error: unrecognized command line option "-ip", if you do a google search, it looks like f951 might be a gfortran error.  So you might have specified a gfortran compiler instead of an ifort compiler for the fortran compiler during siteconfig.  As it says, check the compile.msg file in SRC_dstart, because the information in the compile.msg file might make it more clear as to what exactly went wrong.


On 5/18/2015 1:04 AM, Temuujin Bayaraa wrote:
Dear Wien2k users,

I am installing Wien2k 13.1 on Red Hat (Cluster). I have Intel Composer Xe 2013 SP1 installed.
I chose following in the compilation:
System : I ; linuxfc
Compiler: ifort, icc
Compiler options:  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback -assume   buffered_io
 FFTW options:            -DFFTW3 -I/home/temuujin/local/include
 Linker Flags:            $(FOPT) -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
 Preprocessor flags       '-DParallel'
 R_LIB (LAPACK+BLAS):     -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -openmp -lpthread
 FFTW_LIBS:               -lfftw3_mpi -lfftw3 -L/home/temuujin/local/lib

And after compilation, i get following error:

SRC_dstart/compile.msg:make[1]: *** [module.o] Error 127
SRC_dstart/compile.msg:make: *** [seq] Error 2
SRC_dstart/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_dstart/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_dstart/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_dstart/compile.msg:make[1]: *** [module.o] Error 1
SRC_dstart/compile.msg:make: *** [para] Error 2
SRC_hf/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_hf/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_hf/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1
SRC_hf/compile.msg:make: *** [rp] Error 2
SRC_hf/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_hf/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_hf/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_hf/compile.msg:make[1]: *** [modules.o] Error 1
SRC_hf/compile.msg:make: *** [cp] Error 2
SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_lapw0/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_lapw0/compile.msg:make[1]: *** [modules.o] Error 1
SRC_lapw0/compile.msg:make: *** [para] Error 2
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1
SRC_lapw1/compile.msg:make: *** [rp] Error 2
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_lapw1/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_lapw1/compile.msg:make[1]: *** [modules.o] Error 1
SRC_lapw1/compile.msg:make: *** [cp] Error 2
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [rp] Error 2
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-ip"
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-mp1"
SRC_lapw2/compile.msg:f951: error: unrecognized command line option "-assume"
SRC_lapw2/compile.msg:make[1]: *** [modules.o] Error 1
SRC_lapw2/compile.msg:make: *** [cp] Error 2

Would really appreciate help on this one.


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