[Wien] Compilation error

[Temuujin Bayaraa]

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> 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>
> 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> 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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