How To Install quantum-espresso-mpich on CentOS 8
quantum-espresso-mpich is quantum-espresso - mpich version
Introduction
In this tutorial we learn how to install quantum-espresso-mpich on CentOS 8.
What is quantum-espresso-mpich
QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. This package contains the mpich version.
We can use yum or dnf to install quantum-espresso-mpich on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install quantum-espresso-mpich.
Install quantum-espresso-mpich on CentOS 8 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install quantum-espresso-mpich using dnf by running the following command:
sudo dnf -y install quantum-espresso-mpich
Install quantum-espresso-mpich on CentOS 8 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install quantum-espresso-mpich using yum by running the following command:
sudo yum -y install quantum-espresso-mpich
How To Uninstall quantum-espresso-mpich on CentOS 8
To uninstall only the quantum-espresso-mpich package we can use the following command:
sudo dnf remove quantum-espresso-mpich
quantum-espresso-mpich Package Contents on CentOS 8
/usr/lib/.build-id
/usr/lib/.build-id/04
/usr/lib/.build-id/04/2b60883118b3074cc565d5f88b0f66aea3c609
/usr/lib/.build-id/0b
/usr/lib/.build-id/0b/a80a86008726784ad3b8baf04365a183ed7df2
/usr/lib/.build-id/0e
/usr/lib/.build-id/0e/0a942700acfeee2a0e9492a2f7cdacebd9a4e9
/usr/lib/.build-id/10/0c7c99fd64507dd3076224aad738934d639fba
/usr/lib/.build-id/10/230174885e10d1ed07722458ed92254e0e2368
/usr/lib/.build-id/10/230174885e10d1ed07722458ed92254e0e2368.1
/usr/lib/.build-id/10/230174885e10d1ed07722458ed92254e0e2368.2
/usr/lib/.build-id/13
/usr/lib/.build-id/13/d687e8ab6171684968f671b938fe270387095b
/usr/lib/.build-id/14/bbe720d6e4ee09cd0d980ea0d735bd1f33be54
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/usr/lib/.build-id/17
/usr/lib/.build-id/17/45a33883838d3ca26844231ff156a7e81ee6a1
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/usr/lib/.build-id/24/48c3607772920d6d4bf320505d5b0957ac4de2
/usr/lib/.build-id/28/3f2ee4aa467c9df41fd6dfd712b010db66c288
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/usr/lib/.build-id/32/7dee2ae8f3f35cfeb63aacbf2d29b6cb557631
/usr/lib/.build-id/32/cddb4f694a34ed919ef112c156d0a7ec632942
/usr/lib/.build-id/37
/usr/lib/.build-id/37/95a5fe2ac556951940f7a67d106f17b8583f41
/usr/lib/.build-id/38/3fd4ad542722db6c4635317568a2628cd3cbf7
/usr/lib/.build-id/3a
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/usr/lib/.build-id/7c/61f3b133f4874530e655e86feaa15d18ce934e
/usr/lib/.build-id/7c/eb1bb98e48f302ed01a4c1cd7b183e02297db6
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/usr/lib/.build-id/ec
/usr/lib/.build-id/ec/b784cfb58ab98b3404720c2c23c94e00177711
/usr/lib/.build-id/ee
/usr/lib/.build-id/ee/b9fd6f9a5d1a63747b23b3bf6392fe16fd3ca3
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/usr/lib/.build-id/f6/5608d7f390fe114be26affbb518f329c5f8b65
/usr/lib/.build-id/f7
/usr/lib/.build-id/f7/76ad2710fff6fe8c4739c32fe4288cd94eba59
/usr/lib/.build-id/fc/720caf8677a920796add5ac6cf54c34056ec95
/usr/lib/.build-id/fc/c574edf0b7577e4904b47d2365b504b22e08bc
/usr/lib/.build-id/fd
/usr/lib/.build-id/fd/0328a4d4fb166e67a9f7a783fcbaa4bd45138b
/usr/lib64/mpich/bin/alpha2f.x_mpich
/usr/lib64/mpich/bin/average.x_mpich
/usr/lib64/mpich/bin/bands.x_mpich
/usr/lib64/mpich/bin/benchmark_libxc.x_mpich
/usr/lib64/mpich/bin/bse_main.x_mpich
/usr/lib64/mpich/bin/casino2upf.x_mpich
/usr/lib64/mpich/bin/cell2ibrav.x_mpich
/usr/lib64/mpich/bin/cp.x_mpich
/usr/lib64/mpich/bin/cpmd2upf.x_mpich
/usr/lib64/mpich/bin/cppp.x_mpich
/usr/lib64/mpich/bin/dist.x_mpich
/usr/lib64/mpich/bin/dos.x_mpich
/usr/lib64/mpich/bin/dynmat.x_mpich
/usr/lib64/mpich/bin/epa.x_mpich
/usr/lib64/mpich/bin/epsilon.x_mpich
/usr/lib64/mpich/bin/ev.x_mpich
/usr/lib64/mpich/bin/extract_core.x_mpich
/usr/lib64/mpich/bin/fd.x_mpich
/usr/lib64/mpich/bin/fd_ef.x_mpich
/usr/lib64/mpich/bin/fd_ifc.x_mpich
/usr/lib64/mpich/bin/fermi_proj.x_mpich
/usr/lib64/mpich/bin/fermi_velocity.x_mpich
/usr/lib64/mpich/bin/fhi2upf.x_mpich
/usr/lib64/mpich/bin/fix_upf.x_mpich
/usr/lib64/mpich/bin/fpmd2upf.x_mpich
/usr/lib64/mpich/bin/fqha.x_mpich
/usr/lib64/mpich/bin/fs.x_mpich
/usr/lib64/mpich/bin/gww.x_mpich
/usr/lib64/mpich/bin/gww_fit.x_mpich
/usr/lib64/mpich/bin/head.x_mpich
/usr/lib64/mpich/bin/hp.x_mpich
/usr/lib64/mpich/bin/ibrav2cell.x_mpich
/usr/lib64/mpich/bin/initial_state.x_mpich
/usr/lib64/mpich/bin/interpolate.x_mpich
/usr/lib64/mpich/bin/iotk.x_mpich
/usr/lib64/mpich/bin/iotk_mpich
/usr/lib64/mpich/bin/iotk_print_kinds.x_mpich
/usr/lib64/mpich/bin/kpoints.x_mpich
/usr/lib64/mpich/bin/lambda.x_mpich
/usr/lib64/mpich/bin/ld1.x_mpich
/usr/lib64/mpich/bin/manycp.x_mpich
/usr/lib64/mpich/bin/manypw.x_mpich
/usr/lib64/mpich/bin/matdyn.x_mpich
/usr/lib64/mpich/bin/molecularnexafs.x_mpich
/usr/lib64/mpich/bin/molecularpdos.x_mpich
/usr/lib64/mpich/bin/ncpp2upf.x_mpich
/usr/lib64/mpich/bin/neb.x_mpich
/usr/lib64/mpich/bin/oldcp2upf.x_mpich
/usr/lib64/mpich/bin/open_grid.x_mpich
/usr/lib64/mpich/bin/path_interpolation.x_mpich
/usr/lib64/mpich/bin/ph.x_mpich
/usr/lib64/mpich/bin/phcg.x_mpich
/usr/lib64/mpich/bin/plan_avg.x_mpich
/usr/lib64/mpich/bin/plotband.x_mpich
/usr/lib64/mpich/bin/plotproj.x_mpich
/usr/lib64/mpich/bin/plotrho.x_mpich
/usr/lib64/mpich/bin/pmw.x_mpich
/usr/lib64/mpich/bin/pp.x_mpich
/usr/lib64/mpich/bin/ppacf.x_mpich
/usr/lib64/mpich/bin/projwfc.x_mpich
/usr/lib64/mpich/bin/pw.x_mpich
/usr/lib64/mpich/bin/pw2bgw.x_mpich
/usr/lib64/mpich/bin/pw2critic.x_mpich
/usr/lib64/mpich/bin/pw2gw.x_mpich
/usr/lib64/mpich/bin/pw2wannier90.x_mpich
/usr/lib64/mpich/bin/pw4gww.x_mpich
/usr/lib64/mpich/bin/pwcond.x_mpich
/usr/lib64/mpich/bin/pwi2xsf.x_mpich
/usr/lib64/mpich/bin/q2qstar.x_mpich
/usr/lib64/mpich/bin/q2r.x_mpich
/usr/lib64/mpich/bin/q2trans.x_mpich
/usr/lib64/mpich/bin/q2trans_fd.x_mpich
/usr/lib64/mpich/bin/read_upf_tofile.x_mpich
/usr/lib64/mpich/bin/rrkj2upf.x_mpich
/usr/lib64/mpich/bin/simple.x_mpich
/usr/lib64/mpich/bin/simple_bse.x_mpich
/usr/lib64/mpich/bin/simple_ip.x_mpich
/usr/lib64/mpich/bin/spectra_correction.x_mpich
/usr/lib64/mpich/bin/sumpdos.x_mpich
/usr/lib64/mpich/bin/turbo_davidson.x_mpich
/usr/lib64/mpich/bin/turbo_eels.x_mpich
/usr/lib64/mpich/bin/turbo_lanczos.x_mpich
/usr/lib64/mpich/bin/turbo_spectrum.x_mpich
/usr/lib64/mpich/bin/upf2casino.x_mpich
/usr/lib64/mpich/bin/uspp2upf.x_mpich
/usr/lib64/mpich/bin/vdb2upf.x_mpich
/usr/lib64/mpich/bin/virtual_v2.x_mpich
/usr/lib64/mpich/bin/wannier_ham.x_mpich
/usr/lib64/mpich/bin/wannier_plot.x_mpich
/usr/lib64/mpich/bin/wfck2r.x_mpich
/usr/lib64/mpich/bin/wfdd.x_mpich
/usr/lib64/mpich/bin/xspectra.x_mpich
/usr/share/licenses/quantum-espresso-mpich
/usr/share/licenses/quantum-espresso-mpich/License
References
Summary
In this tutorial we learn how to install quantum-espresso-mpich on CentOS 8 using yum and dnf.
