Hi Jean-Michel,
Thanks very much for your fine analysis of our user's attempts to
configure ABINIT (incorrectly, as it turned out)! I have made a copy of
the ABINIT-8.10.3-intel-2018b.eb file and added the two configopts which
you recommend below.
Unfortunately it seems that I miss something because the build fails due
to a missing source file "libxml/parser.h". Error messages in the log
file are:
mpiifort -DHAVE_CONFIG_H -I. -I../.. -I../../src/77_ddb
-I../../src/77_ddb -I../../src/32_util -I../../src/32_util
-I../../src/44_abitools -I../../src/44_abitools
-I../../src/27_toolbox_oop -I../../src/27_toolbox_oop
-I../../src/44_abitypes_defs -I../../src/44_abitypes_defs
-I../../src/72_response -I../../src/72_response -I../../src/16_hideleave
-I../../src/16_hideleave -I../../src/42_parser -I../../src/42_parser
-I../../src/55_abiutil -I../../src/55_abiutil -I../../src/41_geometry
-I../../src/41_geometry -I../../src/45_geomoptim
-I../../src/45_geomoptim -I../../src/12_hide_mpi -I../../src/12_hide_mpi
-I../../src/10_defs -I../../src/10_defs -I../../src/14_hidewrite
-I../../src/14_hidewrite -I../../src/57_iovars -I../../src/57_iovars
-I../../src/28_numeric_noabirule -I../../src/28_numeric_noabirule
-I../../src/incs -I../../src/incs
-I/home/modules/software/netCDF/4.6.1-intel-2018b/include
-I/home/modules/software/netCDF-Fortran/4.4.4-intel-2018b/include
-I/home/modules/build/ABINIT/8.10.3/intel-2018b/abinit-8.10.3/fallbacks/exports/include
-free -module
/home/modules/build/ABINIT/8.10.3/intel-2018b/abinit-8.10.3/src/mods
-O2 -xHost -ftz -fp-speculation=safe -fp-model source -fPIC -c -o
m_mathfuncs.o m_mathfuncs.F90
effpot_xml.c(29): catastrophic error: cannot open source file
"libxml/parser.h"
#include <libxml/parser.h>
^
compilation aborted for effpot_xml.c (code 4)
Can you help adding the missing file to the build somehow?
Thanks a lot,
Ole
On 8/26/19 6:45 PM, Jean-Michel Beuken wrote:
Add blue lines in ABINIT/8.10.3-intel-2018b config
---------------------------------------------
# ensure mpi and intel toolchain
configopts = '--enable-mpi '
*# xml support*
*configopts += '--enable-xml '*
*
*
*# openmp support*
*configopts += '--enable-openmp '*
# linalg & fft
--
Ole Holm Nielsen
PhD, Senior HPC Officer
Department of Physics, Technical University of Denmark
