Error occurs when enable fallbacks as well as gpu.  [SOLVED]

option, parallelism,...

Moderators: fgoudreault, mcote

Forum rules
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Locked
kinsang
Posts: 13
Joined: Wed Mar 23, 2016 2:24 pm

Error occurs when enable fallbacks as well as gpu.

Post by kinsang » Tue Apr 05, 2016 4:03 pm

Hi, everyone.
When I enable fallbacks and used cpu only, abinit-7-10-5 works well.
But when I enable GPU, some errors occurred as follows.

configure.ac:
# configure file
FC=mpiifort
CC=mpiicc
CXX=mpiicpc
enable_mpi="yes"
enable_mpi_io="yes"
enable_debug="no"
enable_optim="yes"
enable_hints="yes"

enable_fallbacks="yes"
enable_connectors="yes"

with_dft_flavor="atompaw+bigdft+libxc+wannier90"
with_trio_flavor="netcdf+etsf_io+fox"

enable_gpu="yes"
with_gpu_flavor="cuda-double"
with_gpu_prefix="/usr/local/cuda-7.5"

Error Message:
cd fallbacks && make
make[1]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make fox
make[2]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make[2]: Nothing to be done for `fox'.
make[2]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
Checking build of fox fallback
test -e stamps/fox-install-stamp
make libxc
make[2]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make[2]: Nothing to be done for `libxc'.
make[2]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make linalg
make[2]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make[2]: Nothing to be done for `linalg'.
make[2]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
Checking build of linalg fallback
test -e stamps/linalg-install-stamp
make netcdf
make[2]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make[2]: Nothing to be done for `netcdf'.
make[2]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make atompaw
make[2]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
cd sources/atompaw-4.0.0.10 && make -j 1
make[3]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10'
make all-recursive
make[4]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10'
Making all in src
make[5]: Entering directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10/src'
/bin/sh ../libtool --tag=FC --mode=link mpiifort -free -xHost -mkl -g -O2 -version-info 0:0:0 -o libatompaw.la -rpath /public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/exports/lib abinitinterface.lo aeatom.lo anderson_driver.lo atomdata.lo atompaw_report.lo blockdavidson_mod.lo excor.lo exx_mod.lo exx_pseudo.lo exxdata.lo fock.lo general_mod.lo globalmath.lo graphatom_report.lo gridmod.lo hf_mod.lo hf_pseudo.lo interpolation_mod.lo ldagga_mod.lo libxc_mod.lo numerov_mod.lo paw_sub.lo pseudo_sub.lo pseudo.lo pseudodata.lo pwscfinterface.lo radialsr.lo report_mod.lo search_sort.lo tools_mod.lo xmlinterface.lo atompaw_lib.lo pkginfo.lo -L/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/exports/lib -lxc -L/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/exports/lib -lxc
libtool: link: ar cru .libs/libatompaw.a abinitinterface.o aeatom.o anderson_driver.o atomdata.o atompaw_report.o blockdavidson_mod.o excor.o exx_mod.o exx_pseudo.o exxdata.o fock.o general_mod.o globalmath.o graphatom_report.o gridmod.o hf_mod.o hf_pseudo.o interpolation_mod.o ldagga_mod.o libxc_mod.o numerov_mod.o paw_sub.o pseudo_sub.o pseudo.o pseudodata.o pwscfinterface.o radialsr.o report_mod.o search_sort.o tools_mod.o xmlinterface.o atompaw_lib.o pkginfo.o
ar: hf_pseudo.o: No such file or directory
make[5]: *** [libatompaw.la] Error 1
make[5]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10/src'
make[4]: *** [all-recursive] Error 1
make[4]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10'
make[3]: *** [all] Error 2
make[3]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks/sources/atompaw-4.0.0.10'
make[2]: *** [stamps/atompaw-build-stamp] Error 2
make[2]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make[1]: [all-local] Error 2 (ignored)
Checking build of atompaw fallback
test -e stamps/atompaw-install-stamp
make[1]: *** [all-local] Error 1
make[1]: Leaving directory `/public/home/xuwt/abinit/abinit-7.10.5-mpi+cuda+magma+fallbacks/fallbacks'
make: *** [multi] Error 2

Enclosing the conf.log
Attachments
conf.log
(41.53 KiB) Downloaded 318 times

User avatar
pouillon
Posts: 651
Joined: Wed Aug 19, 2009 10:08 am
Location: Spain
Contact:

Re: Error occurs when enable fallbacks as well as gpu.  [SOLVED]

Post by pouillon » Wed Apr 13, 2016 1:51 pm

Simply use the following:

Code: Select all

with_dft_flavor="bigdft+libxc+wannier90"


AtomPAW is not necessary to build nor run Abinit, and you can easily build it separately.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

Locked