Please look into the documentation (web) of module and how to load
modules.
However, from what you listed as available modules, I can see only
rather old ifort compilers and no fftw.
You can install OneApi (ifort+mkl from Intel) and fftw yourself also
as a user. (This is free software, for fftw also see the UG installation
tips).
Am 30.11.2023 um 14:27 schrieb Safae Benyoussef:
Hello,
Thank you for your response.
The managers of the center, gave us the hand to install the code only
in our account, but I have a problem with the libraries the wien2k code
requires: ifort, libxc, fftw3..... these libraries exist when I type
module avail:
module avail
————————————- /trinity/shared/modules/groups/ ————————————-
userspace/custom userspace/tr17.10
————————————- /home/.pgi/modulefiles/ ————————————-
openmpi/2.1.2/2018 pgi/2018 PrgEnv-pgi/18.4(default)
pgi/18.4(default) pgi-llvm
————————————- /trinity/shared/modules/tr17.10/x86_64/compiler ————————————-
cuda/7.5 gcc/7.2.0 intel-suite python3/3.6.3
cuda/8.0 intel-compiler/32/2018.0.128 oracle-jdk/1.8.0_171
cuda/9.1 intel-compiler/64/2018.0.128 python2/2.7.14
————————————- /trinity/shared/modules/tr17.10/x86_64/mpi ————————————-
intel-mpi/64/2018.0.128 mvapich2/gcc72/ofed/2.2 mvapich2/icc18/psm2/2.2
openmpi/icc18/ofed/3.0.0
mpich/gcc72/psm2/3.2.1 mvapich2/gcc72/psm2/2.2 openmpi/gcc72/ofed/3.0.0
openmpi/icc18/psm2/3.0.0
mpich/icc18/psm2/3.2.1 mvapich2/icc18/ofed/2.2 openmpi/gcc72/psm2/3.0.0
————————————- /trinity/shared/modules/tr17.10/x86_64/libraries ————————————-
blas/3.7.1 fftw3/icc18/3.3.6-pl2 intel-tbb/32/2018.0.128
blas/gcc72/3.7.1 fftw3/icc18/impi/3.3.6-pl2 intel-tbb/64/2018.0.128
blas/icc18/3.7.1 fftw3/icc18/mvapich2/3.3.6-pl2 lapack/3.7.1
boost/gcc72/1.65.1 fftw3/icc18/openmpi/3.3.6-pl2 lapack/gcc72/3.7.1
boost/gcc72/mvapich2/1.65.1 hdf5/gcc72/1.10.1 lapack/icc18/3.7.1
but how can I call them and declare the paths for the compilation (which
command)
If there is any way to copy the path in bachrc file ?
if you do me a favor and send me a link or a method to solve this
problem, I will be grateful.
Cordially,
Safae Benyoussef
Le mar. 28 nov. 2023 à 15:30, Safae Benyoussef
<[email protected] <mailto:[email protected]>> a écrit :
Hello,
I would like to inform you that I am trying to install the code in
my account on a supercomputer.
I would greatly appreciate your guidance.
Thank you in advance for your assistance.
Cordially,
Safae Benyoussef
Le mar. 28 nov. 2023 à 12:59, Safae Benyoussef
<[email protected] <mailto:[email protected]>> a écrit :
Hello,
I am writing to seek your assistance in the installation of the
code.
Could you tell me how to install the code in the user account
and call the libraries: ifort, fftw...
I would greatly appreciate your guidance.
Thank you in advance for your assistance.
Cordially,
Safae Benyoussef
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Phone: +43-1-58801-165300
Email: [email protected] WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
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