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Installation issue #155

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ubaidjmi opened this issue Oct 8, 2024 · 4 comments
Open

Installation issue #155

ubaidjmi opened this issue Oct 8, 2024 · 4 comments

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@ubaidjmi
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ubaidjmi commented Oct 8, 2024

Dear developers,
I am trying to install wanniertools in my HPC using the Makefile.intel-mpi. The installation seems to be complete but during the collecting all executable file, I getting the following error:
mpiifort -fpp -DMPI -fpe3 -O3 -DARPACK -DINTELMKL -O3 -static-intel module.o sparse.o wt_aux.o math_lib.o symmetry.o readHmnR.o inverse.o proteus.o eigen.o ham_qlayer2qlayer.o psi.o unfolding.o rand.o ham_slab.o ham_bulk.o ek_slab.o ek_bulk_polar.o ek_bulk.o readinput.o fermisurface.o surfgreen.o surfstat.o mat_mul.o ham_ribbon.o ek_ribbon.o fermiarc.o berrycurvature.o wanniercenter.o dos.o orbital_momenta.o landau_level_sparse.o landau_level.o lanczos_sparse.o berry.o wanniercenter_adaptive.o effective_mass.o findnodes.o sigma_OHE.o sigma.o Boltz_transport_anomalous.o 2D_TSC.o main.o -o wt.x -L//opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64 -lmkl_core -lmkl_sequential -lmkl_intel_lp64 -ltbb_thread
/opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/bin/mpiifort: line 705: 100193 Segmentation fault (core dumped) ifort '-fpp' -DMPI '-fpe3' '-O3' -DARPACK -DINTELMKL '-O3' '-static-intel' 'module.o' 'sparse.o' 'wt_aux.o' 'math_lib.o' 'symmetry.o' 'readHmnR.o' 'inverse.o' 'proteus.o' 'eigen.o' 'ham_qlayer2qlayer.o' 'psi.o' 'unfolding.o' 'rand.o' 'ham_slab.o' 'ham_bulk.o' 'ek_slab.o' 'ek_bulk_polar.o' 'ek_bulk.o' 'readinput.o' 'fermisurface.o' 'surfgreen.o' 'surfstat.o' 'mat_mul.o' 'ham_ribbon.o' 'ek_ribbon.o' 'fermiarc.o' 'berrycurvature.o' 'wanniercenter.o' 'dos.o' 'orbital_momenta.o' 'landau_level_sparse.o' 'landau_level.o' 'lanczos_sparse.o' 'berry.o' 'wanniercenter_adaptive.o' 'effective_mass.o' 'findnodes.o' 'sigma_OHE.o' 'sigma.o' 'Boltz_transport_anomalous.o' '2D_TSC.o' 'main.o' -o 'wt.x' '-L//opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mkl/lib/intel64' '-lmkl_core' '-lmkl_sequential' '-lmkl_intel_lp64' '-ltbb_thread' -I/opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/include -I/opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/include -L/opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/lib/release -L/opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/lib -Xlinker --enable-new-dtags -Xlinker -rpath -Xlinker /opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/lib/release -Xlinker -rpath -Xlinker /opt/ohpc/pub/apps/intel/2019/compilers_and_libraries_2019.5.281/linux/mpi/intel64/lib -lmpifort -lmpi -ldl -lrt -lpthread
make: *** [main] Error 139
In the INSTALL readme file, it is not mentioned about the path: ARPACK=/Users/user/quan/work/workplace/ARPACK/libarpack_MAC.a
Could you please look into this matter?

@Richard2333
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This should be directed to the path where you have your ARPACK libs installed. In some distributions, ARPACK is in the software source, eg, for ubuntu, u can use

sudo apt install libarpack-dev

from terminal
and set

ARPACK= -larpack 

in the makefile

@ubaidjmi
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Thanks for the reply. I try this and let you know in case of any problems.

@ubaidjmi
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Dear Sir,
I reached out to our HPC administrator regarding the issue we encountered with ARPACK installation. He informed me that our HPC system operates on CentOS/Fedora for security reasons, and as a result, we cannot directly install libarpack-dev as we might on other systems.
Could you kindly guide us on how to proceed with installing ARPACK on this CentOS/Fedora-based system? Any insights or recommended steps would be greatly appreciated.
Thank you for your time and support.

@Richard2333
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Hi,
Fedora should use dnf: sudo dnf install arpack.

In case you don't have the sudo authority, you can build from source.

https://www.arpack.org/download

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