mirror of https://gitlab.com/QEF/q-e.git
3f80377e2a
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11999 c92efa57-630b-4861-b058-cf58834340f0 |
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cp_h2o | ||
cp_o2 | ||
cp_si | ||
cp_sio2 | ||
pw_atom | ||
pw_b3lyp | ||
pw_berry | ||
pw_cluster | ||
pw_dft | ||
pw_dipole | ||
pw_electric | ||
pw_eval | ||
pw_gau-pbe | ||
pw_hse | ||
pw_langevin | ||
pw_lattice-ibrav | ||
pw_lda+U | ||
pw_lsda | ||
pw_md | ||
pw_metaGGA | ||
pw_metal | ||
pw_noncolin | ||
pw_pawatom | ||
pw_pbe | ||
pw_plugins | ||
pw_relax | ||
pw_scf | ||
pw_spinorbit | ||
pw_uspp | ||
pw_vc-relax | ||
pw_vdw | ||
pw_xdm | ||
testcode | ||
ENVIRONMENT | ||
Makefile | ||
README | ||
check_pseudo.sh | ||
extract-cp.x | ||
extract-pw.x | ||
jobconfig | ||
run-cp.sh | ||
run-pw.sh | ||
userconfig.tmp |
README
# Copyright (C) 2001-2020 Quantum ESPRESSO Foundation # Maintainer: Filippo Spiga (filippo.spiga@quantum-espresso.org) TEST-SUITE v1.0.0 ------------------ You can run make with several options: A) Run all PW and CP tests and show a final report $ make B) Run only PW tests and show a final report $ make run_tests_pw C) Run only CP tests and show a final report $ make run_tests_cp D) Run the test that is in a single directory and show a final report $ make run-custom-test testdir=name_of_directory For example, the following runs only the tests in the pw_spinorbit directory $ make run-custom-test testdir=pw_spinorbit E) After computing all tests, it also run a comparison-only steps and redirect the output to a file called "out.`date +%Y%m%d_%H%M%S`" (python buffers both stdout and stderr) $ make compare F) Regenerate all benchmark reference files $ make create_reference G) Clean all test files create so far and leave only benchmark reference $ make clean REFERENCE OUTPUTS ----------------- All reference outputs for PWscf and CP v5.3.0 are computed using GCC 4.9.2. The following configure options have been used: ./configure --disable-openmp --disable-parallel \ --with-internal-blas --with-internal-lapack KNOWN ISSUES ------------ pw_vdw/vdw-ts.in fails with ifort v.12.0.2.137 unless Modules/tsvdw.f90 is compiled with -O0