ABINIT Discussion Forums

Hi, --with-linalg-libs="-llapack -lblas" this is not correct... you forgot "-L" = the path where to find the libs ... something like that : --with-linalg-libs="-L/usr/lib/ -llapack -lblas" --with-mpi-level=2 95% of the time, this is not necessary... if the installation ...

Hi, Clearly, there is a problem with your netcdf installation... in config.log : gfortran -o conftest -g -ffree-line-length-none -I/usr/lib/netcdf/include conftest.F90 -L/usr/lib/netcdf/lib -lnetcdff -lnetcdf -L/usr/lib/gcc/x86_64-linux-gnu/8 -L/usr/lib/gcc/x86_64-linux-gnu/8/../../../x86_64-linux-g...

ok ! PATHs seems to exist... I do not understand why the netcdf is badly detected... can you try with this config ? ( I added -lxcf90 and -latompaw ) prefix="/usr/local" with_trio_flavor="netcdf" with_netcdf_incs="-I/usr/lib/netcdf/include" with_netcdf_libs="-L/usr...

Hi the build system (BS) installs the fallbacks that you request if you put in you .ac file with_trio_flavor="netcdf" with_dft_flavor="atompaw+libxc+wannier90" the BS downloads, compiles and installs the fallbacks inside the abinit folder and will be used to build abinit binary.....

well, very strange installation... Lubuntu seems very different that ubuntu

some packages seems installed in /usr/lib/PAKAGE like libxc, netcdf
others installed in /usr/lib/x86_64-linux-gnu

have you controled yours paths ?

for ex, outputs of

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ls -al /usr/lib/netcdf
ls -al /usr/lib/libxc

Hi, we need more infos - what is the fortran compiler ? GNU 8.2 ? - MPI or serial ? if MPI, missing "with_mpi_prefix" if location is not standard - something missing in : with_atompaw_libs="-L/usr/local/lib" -latompaw - what are the outputs of these commands : dpkg -l | grep netc...

Dear Mikhail, Here is the environment used in our testfarm to test 8.10.2 with intel 18 ( same with intel 15.x/16.x/17.x/19.x ) === Build Information === Version : 8.10.2 Build target : x86_64_linux_intel18.0 Build date : 20190117 === Compiler Suite === C compiler : intel18.0 C++ compiler : intel18....

Hi,

LD_LIBRARY_PATH is the key !

export LD_LIBRARY_PATH=/path/where/libpsml/is/installed/lib:$LD_LIBRARY_PATH

what is the result of this cmd :

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ldd /root/lib/abinit-8.10.1/Gfortran/src/98_main/abinit

Sorry but, there has been no more PGI support for a long time....
PGI has some difficulties to compile ABINIT

sorry, but Abinit8 with CUDA 9 is not yet full supported...
we know that there are still some problems...
jmb

can you try without mpi and with mkl as linalg ?

jmb

Hello Eric, Ok... with enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/usr" with_trio_flavor="netcdf" with_dft_flavor="libxc" I reproduced the problem with "standard" packages of Ubuntu 18.04 ( gnu 7.3 and OpenMpi 2.1.1 ) mpif90 -sho...

Hi, Our testfarm did not detect this bug ... I would like to understand... I have a bot under CentOS 7.5 (Silver 4110) with gcc 8.1 / OpenMPI 3.0.1 and MPICH 3.2 The compilation finishes without problems and the tests are correct. Furthermore, mpif90 -show gfortran -I/usr/local/openmpi-3.0.1_gcc8.1/...

fix done...

jmb

Hi,

Have you already tried OpenBLAS or netlib instead of MKL?
It's probably slower...

my 5¢

hi,

here is a link for an old version that runs natively under Windows 7 (cross-compiled under cygwin + MPI Windows) :

https://www.abinit.org/sites/default/fi ... gnu4.7.zip

You can also install Cygwin-64 and use the linux recipe to compile Abinit...

Regards

jmb

Hi, I successfully run on a cluster with 1, 2, 4 and 8 nodes ( 16 cores each ) with version 8.4.2, 8.5.0 and 8.7.3 the version of intel compiler is clusterstudio 2017.3.191 this is my ac file : # clusterstudio ifort 17 # Fortran compiler # ================ FC="mpiifort" CC="mpiicc&quo...

DNS problem resolved

# host forge.abinit.org
forge.abinit.org is an alias for forges.pcpm.ucl.ac.be.
forges.pcpm.ucl.ac.be has address 130.104.231.62

Hi,

there is a temporary DNS problem... the resolution of forge.abinit.org failed

hence, you can use the URL above to download the correct version of BigDFT for 8.6 :

http://forges.pcpm.ucl.ac.be/fallbacks/bigdft-1.7.1.25.tar.gz

sorry

Hi,

https://www.abinit.org/sites/default/fi ... 2.3.tar.gz

have fun...

Dear jf rivas,

Very glad you managed with openmpi !
When I have a little time, I will try your recipe...

Regards,

jmb

Hi, make[3]: Entering directory '/home/rivas/Desktop/abinit-8.2.2p/src/01_triqs_ext' /opt/openmpi-1.6.3/bin/mpicxx -std=c++14 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home/rivas/Desktop/abinit-8.2.2p/fallbacks/exports/include -g -O2 -mtune=native -march=native -std=c++14 -MT ...

http://ftp.abinit.org/bigdft-1.6-tuto.1.tar.gz

have fun !

http://ftp.abinit.org/abinit-6.12.3.tar.gz

have fun !

need infos ! please...

can you post the output of these cmds :

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uname -ar
dpkg -l| grep blas
echo $LD_LIBRARY_PATH

How did you choose the algebraic library ?
did you use :

Code: Select all

--with-linalg-flavor="netlib"
--with-linalg-libs="-L/PATH/OF/NETLIB/LIBRARY  -llapack -lblas"

ABINIT Discussion Forums

Search found 355 matches

Re: m_drivexc.F90:1972: internal compiler error: Segmentatio [SOLVED]

Re: Configuration problems with Abinit 8.10.2 [SOLVED]

Re: Configuration problems with Abinit 8.10.2 [SOLVED]

Re: FallBacks or not?

Re: Configuration problems with Abinit 8.10.2 [SOLVED]

Re: Configuration problems with Abinit 8.10.2 [SOLVED]

Re: Troubles with relaxation when using ABINIT 8.8.4

Re: Configure abinit-8.10.1 in order to read psml files [SOLVED]

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Re: tests of ABINIT 8.8.2 with CUDA almost fails. [SOLVED]

Re: Segmentation fault occurred in sample input (/v3/t78.in) [SOLVED]

Re: Possible bug in 42_libpaw/m_libpaw_mpi.F90

Re: Possible bug in 42_libpaw/m_libpaw_mpi.F90

Re: fully-relativistic PP generation using ATOMIC. [SOLVED]

Re: SCF cycle deteriorates during molecular dynamics

Re: ABINIT Binaries For Windows [SOLVED]

Re: defective inter-node parallelism with 2017 Intel compile

Re: How to get BigDFT fallback [SOLVED]

Re: How to get BigDFT fallback [SOLVED]

Re: Request for abinit-6.12.3 version [SOLVED]

Re: compiling triqs [SOLVED]

Re: compiling triqs [SOLVED]

Re: Request for abinit-6.12.3 version [SOLVED]

Re: Request for abinit-6.12.3 version [SOLVED]

Re: libblas.so.3 [SOLVED]