ABINIT Discussion Forums

Hi,

see for a example with .ac file
viewtopic.php?f=3&t=4453&p=13172&hilit=mismatch#p13172

have you try with

Hi, grep error config.log this "grep" is not useful at all: it is quite normal to find errors when configuring because the BS tests/checks all a series of features... ( see https://www.gnu.org/software/autoconf/ to understand how ./configure works ) To help you, I need some useful information: the f...

Hi,

everything looks good in the config.log...
can you send the output files of these two cmds :

Hi,

already solved on forum :

viewtopic.php?f=2&t=5205

use FCFLAGS_EXTRA

Hi,

hdf5/netcdf/libxc are mandatory with abinit 9.x

see : https://docs.abinit.org/installation/

jmb

Hi, You need to specify the path of the magma installation folder. for example, my config with mkl instead of netlib : with_linalg_flavor="mkl+magma" LINALG_CPPFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include" LINALG_FCFLAGS="-I${MAGMA_ROOT}/include -I${MKLROOT}/include" LINALG_LIBS="-L${MAGMA_RO...

Hi, I see in the config.log that the OS is RedHatEnterpriseServer7 you need to install the following libraries : libaec-devel libaec rpm -ql libaec-devel /usr/include/libaec.h /usr/include/szlib.h /usr/lib64/libaec.so /usr/lib64/libsz.so nm -D /usr/lib64/libsz.so | grep SZ_encoder_enabled 0000000000...

Dear ,
Could your problem the same as this one that has been solved:
viewtopic.php?f=3&t=4482 ?
There was a similar question before, please check if it is not in some previous posts.
Best wishes,

Hi, As Eric says, this script is no longer maintained. If you want to use it with Abinit 7.4.3, you must use Python 2.7. There is an unofficial patch on github (https://github.com/abinit/abinit/pull/26/files) that might fix your problem with Python 3 but I haven't checked it out . BTW, with ABINIT v...

Hi,

see in "KNOWN_PROBLEMS" in abinit source :

Status, for the different versions of compilers that are supported (or might become soon).

GNU Fortran compiler (presently tested : v5.4, v7.3, v7.4, v8.2, v8.3, v9.1, v9.2)

GNU 4.x is no longer supported: that's the reason for the error!

resolved in version 9.0.1 ( dispo soon, end of january )
jmb

Hi,

what is the output of this command :
the content of the make.log file is not relevant...

can you rerun the compilation with :
and post the make.stderr file

jmb

Hi,

GPU / CUDA functionality works again in version 8.10.3 ( cuda 10.x, MAGMA 2.5 , tested with K40c, Titan V( volta)))

coming soon...

jmb

From September 2nd to September 6th 2019, there will be an Abinit school organised in Prague with the focus on ground state and linear response properties. You can find more details on the website of the event here : http://palata.fzu.cz/abinitschool/index.php?item=home Registration will open soon, ...

Hi, 2 remarks : - gnu 4.8.5 is obsolete and it is no more supported with ABINIT - it seems you compile yourself the MPI package ( /usr/local/ ) : right ? what the outputs of theses commands which mpif90 mpif90 -show mpif90 --version nm /usr/local/lib/lib*.* | grep mpi_attr_get_ regards jmb

Hi,

if the mpi package is not installed in "standard" place, the configure didn't found it

you can use --with-mpi-prefix to point the MPI installation

what is the result of :



regards

jmb

Hi, sorry for the link : access restricted but, you can use this workaround : diff --git a/src/67_common/m_vcoul.F90 b/src/67_common/m_vcoul.F90 index 4648b80..2ddc638 100644 --- a/src/67_common/m_vcoul.F90 +++ b/src/67_common/m_vcoul.F90 @@ -223,7 +223,7 @@ subroutine vcoul_init(Vcp,Gsph,Cryst,Qmes...

PhD position immediately available at University of Cantabria, Santander, Spain: "First and second-principles simulations at oxide interfaces", with broad choices regarding the materials to study. Interested people should contact Prof. Javier Junquera at their earliest convenience. Please ...

Hi perhaps a problem of syntax... try ./configure \ --with-wannier90-libs="-L/home/lrl/Desktop/wannier/wannier90-2.0.1 -lwannier" \ --enable-mpi=yes --enable-mpi-io FC=mpif90 CC=mpicc or ./configure \ --with-wannier90-libs="/home/lrl/Desktop/wannier/wannier90-2.0.1/libwannier.a" ...

HI,

What the version of ifort ?

only versions >= 12.1 of ifort are supported with Abinit > 7.x

jmb

Hi can you try with this build.ac file : CC = mpiicc CXX = mpicxx FC = mpiifort enable_mpi = yes enable_mpi_io = yes with_mpi_incs = -I/opt/intel/impi/4.0.0028/include64 with_mpi_libs = -L/opt/intel/impi/4.0.0028/lib64 -lmpi with_dft_flavor = none with_trio_flavor = netcdf+etsf_io with_fft_flavor = ...

Recipe for a x86-64 / ubuntu 14.04 (64bits) / abinit 7.8.2 : Same procedure as for ubuntu 13.04 (64bits)/abinit 7.6.3 but without installing the etsf-io package. We need etsf-io version 1.0.4 for abinit 7.8.x but, up to now, only version 1.0.3 is available on ubuntu : root@ktulu:~# apt-cache show et...

Recipe for a x86-64 / ubuntu 13.04 (64bits) / abinit 7.6.3 : from a fresh install : 1) installation of theses packages : sudo apt-get -y install gcc g++ gfortran sudo apt-get -y install patch sudo apt-get -y install libetsf-io-dev sudo apt-get -y install libnetcdf-dev sudo apt-get -y install libfftw...

Hi, the status of gcc4.9.0 version is yet "Development" : please use 4.8.2 concerning the configure, for MPI support, it's enough to specify --with-mpi-prefix=/opt/openmpi64i ( if the subfolder tree is "standard" bin,lib,include…) you can try first to build a serial version : ./c...

viewtopic.php?f=3&t=1387#p6477

M.Yu. Arsent'ev
Institute of Silicate Chemistry of RAS