Index of /espresso_v6.1/amd64_ubuntu1404/qe-6.1/test-suite
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Parent Directory 17-May-2017 18:06 -
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ENVIRONMENT 16-May-2017 18:05 1k
License 03-Mar-2017 01:57 18k
Makefile 03-Mar-2017 01:46 6k
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check_pseudo.sh 03-Mar-2017 01:47 1k
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cp_h2o/ 03-Mar-2017 01:57 -
cp_o2/ 03-Mar-2017 01:57 -
cp_si/ 03-Mar-2017 01:57 -
cp_sio2/ 03-Mar-2017 01:57 -
epw_base/ 03-Mar-2017 01:57 -
epw_metal/ 03-Mar-2017 01:57 -
epw_soc/ 03-Mar-2017 01:57 -
epw_super/ 03-Mar-2017 01:57 -
epw_trev/ 03-Mar-2017 01:57 -
extract-cp.x 03-Mar-2017 01:46 1k
extract-epw.x 03-Mar-2017 01:46 5k
extract-ph.x 03-Mar-2017 01:46 1k
extract-pw.x 03-Mar-2017 01:47 1k
extract-tddfpt.x 03-Mar-2017 01:46 3k
jobconfig 03-Mar-2017 01:46 3k
ph_base/ 03-Mar-2017 01:57 -
pw_atom/ 03-Mar-2017 01:57 -
pw_b3lyp/ 03-Mar-2017 01:57 -
pw_berry/ 03-Mar-2017 01:57 -
pw_cluster/ 03-Mar-2017 01:57 -
pw_dft/ 03-Mar-2017 01:57 -
pw_dipole/ 03-Mar-2017 01:57 -
pw_electric/ 03-Mar-2017 01:57 -
pw_eval/ 03-Mar-2017 01:57 -
pw_gau-pbe/ 03-Mar-2017 01:57 -
pw_hse/ 03-Mar-2017 01:57 -
pw_langevin/ 03-Mar-2017 01:57 -
pw_lattice-ibrav/ 03-Mar-2017 01:57 -
pw_lda+U/ 03-Mar-2017 01:57 -
pw_lsda/ 03-Mar-2017 01:57 -
pw_md/ 03-Mar-2017 01:57 -
pw_metaGGA/ 03-Mar-2017 01:57 -
pw_metal/ 03-Mar-2017 01:57 -
pw_noncolin/ 03-Mar-2017 01:57 -
pw_pawatom/ 03-Mar-2017 01:57 -
pw_pbe/ 03-Mar-2017 01:57 -
pw_plugins/ 03-Mar-2017 01:57 -
pw_relax/ 03-Mar-2017 01:57 -
pw_scf/ 03-Mar-2017 01:57 -
pw_spinorbit/ 03-Mar-2017 01:57 -
pw_uspp/ 03-Mar-2017 01:57 -
pw_vc-relax/ 03-Mar-2017 01:57 -
pw_vdw/ 03-Mar-2017 01:57 -
pw_xdm/ 03-Mar-2017 01:57 -
run-cp.sh 03-Mar-2017 01:47 1k
run-epw.sh 03-Mar-2017 01:47 1k
run-ph.sh 03-Mar-2017 01:46 1k
run-pw.sh 03-Mar-2017 01:47 1k
run-tddfpt.sh 03-Mar-2017 01:47 2k
tddfpt_CH4/ 03-Mar-2017 01:57 -
tddfpt_eels-si/ 03-Mar-2017 01:57 -
testcode/ 03-Mar-2017 01:46 -
userconfig.tmp 03-Mar-2017 01:51 4k
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validate_xsd_pw.py 03-Mar-2017 01:46 3k
xsd_pw/ 03-Mar-2017 01:46 -
# Copyright (C) 2001 Quantum ESPRESSO #
# This program is free software; you can redistribute it and/or # modify it under the terms of the GNU General Public License
# as published by the Free Software Foundation; either version 2 # of the License. See the file `License' in the root directory
# of the present distribution.
TEST-SUITE v6.1
------------------
Type 'make' for the list of possible options. Currently only PW, CP and EPW
are supported.
'make compare' compare the latest run of tests (SERIAL or PARALLEl) and
redirect the output to a file called "out.XXX.`date +%Y%m%d_%H%M%S`"
'XXX' is replaced by the name of the package ('PW', 'CP', 'EPW')
Clean all test files and leave only benchmark reference via 'make clean'
command
REFERENCE OUTPUTS
-----------------
All reference outputs have been computed using GCC 4.8.5
The following configure options have been used:
./configure --enable-openmp --disable-parallel --with-netlib
DFLAGS = -D__OPENMP -D__GFORTRAN -D__STD_F95 -D__FFTW
CFLAGS = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS = $(FFLAGS) -x f95-cpp-input -fopenmp
FFLAGS = -O3 -g -fopenmp
FFLAGS_NOOPT = -O0 -g
LD = gfortran
LDFLAGS = -g -pthread -fopenmp
During execution:
OMP_NUM_THREADS = 4