Hi,
Please note: For wienncm and wienbse wie do NOT provide full support.
This was clearly stated on the website.
In particular, these codes require some knowledge of Linux as the
installation is not so automatic as in WIEN2k and in particular, there
are no updates, so the user has to adapt the Makefile himself.
Anyway:
i) Do you have the MKL in your path (echo $MKLROOT) ? You may have to
source some configuration script.
ii) You have to modify your Makefiles. In general, most of the options
should be the same as for a WIEN2k compilation. Check your Makefiles in
WIEN2k and adopt the libraries and options from there.
> *ifort -o ./displacement module.o gtfnam.o errflg.o errclr.o outerr.o
> displacement.o determinant.o euler.o inversa.o make_point_groups.o
> find_displacement.o lapack.o lapack2.o -L../SRC_lib
> -L/opt/intel/mkl60/lib/32 -Vaxlib -static -lmkl_lapack -lmkl_p4 -lguide
> -lpthread
Obviously, this Makefile is still for a 32 bit machine and a very old
compiler.
You have to adopt it to your path (-L/opt/intel/mkl60/lib/32 )
change/remove some options (-Vaxlib),
modify the names of some mkl-libraries to the present version (-lmkl_p4
-lguide)
The proper info for your system can be found in your WIEN2k compilation.
Am 17.11.2023 um 15:49 schrieb Safikul Islam:
Dear Professor Peter Blaha,
You are right. The path of ifortran compiler was not adjusted properly
in the bashrc file. After giving the proper path of ifortran compiler I
am getting the following errors during compilation of the WIENncm
software. I have pasted the error of the compile.msg file of the
SRC_displacement folder.
.................................................................................................................................................................
*Compile time errors (if any) were:
SRC_displacement/compile.msg:make: *** [displacement] Error 1
SRC_dstart/compile.msg:ifort: error #10236: File not found: 'cputim.o'
SRC_dstart/compile.msg:make: *** [dstart] Error 1
SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
SRC_lapw0/compile.msg:make: *** [seq] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_mixer/compile.msg:make: *** [mixer] Error 1
SRC_mixer_old/compile.msg:make: *** [mixer] Error 1
SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1*
....................................................................................................................................................................
*SRC_displacement/compile.msg error*
*ifort -o ./displacement module.o gtfnam.o errflg.o errclr.o outerr.o
displacement.o determinant.o euler.o inversa.o make_point_groups.o
find_displacement.o lapack.o lapack2.o -L../SRC_lib
-L/opt/intel/mkl60/lib/32 -Vaxlib -static -lmkl_lapack -lmkl_p4 -lguide
-lpthread
ifort: command line remark #10010: option '-Vaxlib' is deprecated and
will be removed in a future release. See '-help deprecated'
ld: cannot find -lmkl_lapack
ld: cannot find -lmkl_p4
ld: cannot find -lguide
/usr/lib/../lib64/libpthread.a(libpthread.o): In function `sem_open':
(.text+0x77cd): warning: the use of `mktemp' is dangerous, better use
`mkstemp'
make: *** [displacement] Error 1*
*..........................................................................................................................................................................*
*
*
*
*
Sir, how should I proceed now? I kindly request you to please help me to
sort out this problem.
Kind Regards,
Safikul Islam
On Fri, Nov 17, 2023 at 1:28 PM Safikul Islam
<safikul.physics1...@gmail.com <mailto:safikul.physics1...@gmail.com>>
wrote:
Dear Wien2k users and developers,
I am trying to install WIENncm using ifortran compiler version
18.0.0. But I am getting many errors. The error has been attached
with this mail. I have looked into the previous messages
regarding the installation of WIENncm. It has been suggested that
WIENncm is compatible with ifortran compiler version 11.xxx. But
right now I am unable to change ifortran compiler version from
18.0.0 to ifortran 11.xxx. Could anyone suggest to me how I will
install WIENncm using ifortran 18.0.0? If anyone has installed it by
changing the makefiles I am requesting you to please help me
regarding this issue. I will remain thankful to you.
Kind Regards,
*SAFIKUL ISLAM*
[Ph.D Research Scholar]
---------------------------------------------------
Department of Physics.
Indian Institute of Technology,
Kharagpur.
West Bengal, India.
_Pin Code_:- 721302.
---------------------------------------------------
_Contact_:- 9832979985
--
*SAFIKUL ISLAM*
[Ph.D Research Scholar]
---------------------------------------------------
Department of Physics.
Indian Institute of Technology,
Kharagpur.
West Bengal, India.
_Pin Code_:- 721302.
---------------------------------------------------
_Contact_:- 9832979985
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Phone: +43-1-58801-165300
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