Quantum espresso/Batch

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You can submit a Quantum ESPRESSO job (test.in) in batch mode with the following command:

sbatch [Slurm options] --wrap="[BINARY] [Quantum ESPRESSO options] -i test.in > test.out"

Quantum ESPRESSO does not have a main binary to call the program. You need to chose a particular binary according to the Quantum ESPRESSO package that you would like to use. Therefore you need to replace [BINARY] with one of the following executables:

average.x, band_plot.x, bands_FS.x, bands.x, bgw2pw.x, casino2upf.x, cpmd2upf.x, cppp.x, cp.x, d3.x, dipole.x, dist.x, dos.x, dynmat.x, epsilon.x, epw.x, ev.x, fd_ef.x, fd_ifc.x, fd.x, fhi2upf.x, fpmd2upf.x, fqha.x, fs.x, generate_rVV10_kernel_table.x, generate_vdW_kernel_table.x, gww_fit.x, gww.x, head.x, importexport_binary.x, initial_state.x, interpolate.x, iotk, iotk_print_kinds.x, iotk.x, kpoints.x, kvecs_FS.x, lambda.x, ld1.x, manycp.x, manypw.x, matdyn.x, metadyn_pp.x, molecularnexafs.x, molecularpdos.x, ncpp2upf.x, neb.x, oldcp2upf.x, path_interpolation.x, path_int.x, pawplot.x, phcg.x, ph.x, plan_avg.x, plotband.x, plotproj.x, plotrho.x, pmw.x, postw90.x, pp.x, projwfc.x, pw2bgw.x, pw2casino.x, pw2gw.x, pw2wannier90.x, pw4gww.x, pwcond.x, pw_export.x, pwi2xsf.x, pw.x, q2qstar.x, q2r.x, q2trans_fd.x, q2trans.x, read_upf_tofile.x, rrkj2upf.x, spectra_correction.x, spectra_manipulation.x, sumpdos.x, turbo_davidson.x, turbo_eels.x, turbo_lanczos.x, turbo_spectrum.x, upf2casino.x, uspp2upf.x, vdb2upf.x, vdw.x, virtual.x, voronoy.x, w90chk2chk.x, wannier90.x, wannier_ham.x, wannier_plot.x, westpp.x, wfck2r.x, wfdd.x, wfreq.x, wstat.x, xspectra.x

[Quantum ESPRESSO options] needs to be replaced by command line options of the particular package that you chose and you need to replace [Slurm options] with Slurm parameters for the resource requirements of the job. Please find a documentation about the parameters of sbatch on the wiki page about the batch system.