Search found 355 matches
- Mon Feb 13, 2017 8:24 pm
- Forum: Configuring and compiling ABINIT
- Topic: how to verify the abinit version [SOLVED]
- Replies: 3
- Views: 3809
Re: how to verify the abinit version [SOLVED]
Hi, not enough infos ! I have compiled parallel version of abinit on a pentium, dowloading 8.0.8b package. what is the argument of your configure cmd ? are you made a install after compilation ( make install ) ? if yes, what is the value of the argument "--prefix" , When I type : abinit --...
- Mon Feb 13, 2017 8:51 am
- Forum: Configuring and compiling ABINIT
- Topic: Installation error (no Fortran compiler available) [SOLVED]
- Replies: 2
- Views: 4524
Re: Installation error (no Fortran compiler available) [SOLVED]
Hi,
It is pretty clear...
...
checking whether we are using the GNU Fortran compiler... no
checking whether accepts -g... no
configure: error: no Fortran compiler available
It is pretty clear...
Code: Select all
dnf install gcc gcc-gfortran
- Sun Feb 05, 2017 8:42 pm
- Forum: Configuring and compiling ABINIT
- Topic: problem after make
- Replies: 2
- Views: 2730
Re: problem after make
Hi,
the configure exits with rc=0 (your config.log ) , then it's ok !
but what are your ubuntu.ac file and the compilation's errors ?
jmb
the configure exits with rc=0 (your config.log ) , then it's ok !
but what are your ubuntu.ac file and the compilation's errors ?
jmb
- Wed Jan 18, 2017 6:37 pm
- Forum: Improving ABINIT
- Topic: How to run a specific test of the test farm
- Replies: 2
- Views: 3345
Re: How to run a specific test of the test farm
Hello Jordan, you can find, for example, for the test tutorespfn, the list of of subtests in : cat tests/tutorespfn/__init__ <snip> subsuites = [ "elast", "emp", "eph", "ffield", "nlo", "optic", "rf1", "rf2", ] </snip> t...
- Wed Dec 21, 2016 6:43 pm
- Forum: Configuring and compiling ABINIT
- Topic: How to configure CUDA MKL GCC in Linux Properly?
- Replies: 2
- Views: 3412
Re: How to configure CUDA MKL GCC in Linux Properly?
( update of post http://forum.abinit.org/viewtopic.php?f=2&t=2677&p=8233&hilit=cuda#p8233 ) Hello, we have a testfarm and one of the bot tests the cuda functionality ( this bot has 2 x K40 and 2 x Tesla C1060 ) we use gcc47 + mkl + magma ( > 1.6.x ) + cuda 6.5 and compile abinit with ( a...
- Fri Nov 11, 2016 8:33 pm
- Forum: Link to other codes
- Topic: JTH PAW Atomic Data file for N [SOLVED]
- Replies: 2
- Views: 4320
Re: JTH PAW Atomic Data file for N [SOLVED]
done...
sorry,
jmb
sorry,
jmb
- Mon Oct 31, 2016 9:31 pm
- Forum: Configuring and compiling ABINIT
- Topic: Need a .ac file for Abinit 8.08 in Ubuntu 14.04 [SOLVED]
- Replies: 1
- Views: 3602
- Tue Oct 25, 2016 10:46 pm
- Forum: Configuring and compiling ABINIT
- Topic: Abinit download packages not found [SOLVED]
- Replies: 1
- Views: 3214
Re: Abinit download packages not found [SOLVED]
sorry...
service enabled now...
jmb
service enabled now...
jmb
- Tue Oct 04, 2016 9:35 am
- Forum: Configuring and compiling ABINIT
- Topic: Issue Regarding Parallel Installation of Abinit 8.0.7
- Replies: 6
- Views: 10028
Re: Issue Regarding Parallel Installation of Abinit 8.0.7
Hi Marco, I also tried to modify the line `` with-trio-flavor ="netcdf+etsf_io" `` in the .ac file and noticed that in the end the configuration does not care if you set netcdf, or netcdf+whatever, since TRIO flavor is set to None. You have to type it by hand after configure to get it corr...
- Mon Aug 08, 2016 7:50 pm
- Forum: Configuring and compiling ABINIT
- Topic: problem for install abinit 8.0.8 [SOLVED]
- Replies: 11
- Views: 14632
Re: problem for install abinit 8.0.8 [SOLVED]
please read carefully my post... I didn't speak about "with_netcdf_incs="-I/usr/include" but about : 1) replace everywhere "/usr/lib64" by "/usr/lib" in your ac file 2) add -lfftw3f then replace with_fft_libs="-L/usr/lib64 -lfftw3" by with_fft_libs="...
- Sat Aug 06, 2016 9:16 am
- Forum: Configuring and compiling ABINIT
- Topic: problem for install abinit 8.0.8 [SOLVED]
- Replies: 11
- Views: 14632
Re: problem for install abinit 8.0.8 [SOLVED]
Hi forgot to attach "dpkg -l" ? your ac file : prefix="/usr/local" enable_mpi="yes" enable_mpi_io="yes" with_mpi_prefix="/usr" with_netcdf_incs="-I/usr/include" with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff" with_fft_flavor=&q...
- Fri Aug 05, 2016 12:29 am
- Forum: Configuring and compiling ABINIT
- Topic: problem for install abinit 8.0.8 [SOLVED]
- Replies: 11
- Views: 14632
Re: problem for install abinit 8.0.8 [SOLVED]
Hi,
can you provide some more infos :
- version of os : 16.04 or 16.10
- dpkg --list
- cat ubuntu.ac
jmb
can you provide some more infos :
- version of os : 16.04 or 16.10
- dpkg --list
- cat ubuntu.ac
jmb
- Mon Jul 11, 2016 9:32 pm
- Forum: Configuring and compiling ABINIT
- Topic: error in compilation of abinit 7.8.2 [SOLVED]
- Replies: 2
- Views: 4202
Re: error in compilation of abinit 7.8.2 [SOLVED]
Hi, there are some problems with the mpich2 installation : configure:10613: /home/satvindersingh/libs/mpich2/mpich2-install/bin/mpicc --version >&5 gcc (GCC) 4.8.5 configure:13420: /home/satvindersingh/libs/mpich2/mpich2-install/bin/mpif90 --version >&5 GNU Fortran (GCC) 4.1.2 20080704 (Red ...
- Mon Jun 13, 2016 7:34 pm
- Forum: Configuring and compiling ABINIT
- Topic: Dear every one,does abinit 8 only compatible with >=gcc 5? [SOLVED]
- Replies: 2
- Views: 5152
Re: Dear every one,does abinit 8 only compatible with >=gcc [SOLVED]
Hi,
8.0.x is tested on our test farm with : gcc 4.6.4 , 4.7.4, 4.8.2, 4.9.3, 5.3 et 6.1
jmb
8.0.x is tested on our test farm with : gcc 4.6.4 , 4.7.4, 4.8.2, 4.9.3, 5.3 et 6.1
REM :
I compile the compilers myself...
I have some times problems with compiler package like 5.3.1 from ubuntu 15.10 ( not yet tested with 16.04 )
jmb
- Thu Oct 15, 2015 8:01 pm
- Forum: Configuring and compiling ABINIT
- Topic: installation problems on mac [SOLVED]
- Replies: 12
- Views: 16540
Re: installation problems on mac [SOLVED]
Argh !
you are right ! it is in version 7.10.5 ( not published )
find a version of README.MacOSX attached...
I don't understand
we use, at minimum, Fortran 95 and part of Fortran 2003
Fortran 77 can no longer compile ABINIT…
Sorry,
jmb
you are right ! it is in version 7.10.5 ( not published )
find a version of README.MacOSX attached...
I again installed de fortran g77 compiler.
I don't understand
we use, at minimum, Fortran 95 and part of Fortran 2003
Fortran 77 can no longer compile ABINIT…
Sorry,
jmb
- Wed Oct 14, 2015 10:07 pm
- Forum: Configuring and compiling ABINIT
- Topic: installation problems on mac [SOLVED]
- Replies: 12
- Views: 16540
Re: installation problems on mac [SOLVED]
Hi,
did you read the content of the README.MacOSX file found in the root of source tree of 7.10.4 version ?
jmb
did you read the content of the README.MacOSX file found in the root of source tree of 7.10.4 version ?
jmb
- Thu Oct 08, 2015 10:08 pm
- Forum: Configuring and compiling ABINIT
- Topic: How can I get abinit binaries for windows 32bits? [SOLVED]
- Replies: 2
- Views: 7174
Re: How can I get abinit binaries for windows 32bits? [SOLVED]
Hello, the link https://transvol.sgsi.ucl.ac.be/download.php?id=298735237b4bbf8f is expired You can use these permanent links : for 32bit intel : http://ftp.abinit.org/binaries/abinit-6.4.3_prescottSSE3.zip for 32bit AMD : http://ftp.abinit.org/binaries/abinit-6.4.3_amdk8.zip regards
- Tue Sep 15, 2015 8:41 pm
- Forum: Configuring and compiling ABINIT
- Topic: make problems
- Replies: 1
- Views: 2557
Re: make problems
the problem is related to the libxc library... are you sure that the libxc is well compiled ? I see that you specified the location of a libxc library : --with-libxc-incs=-I/export1/home/maofei/opt/lixc-2.02/include --with-libxc-libs=-L/export1/home/maofei/opt/lixc-2.02/lib -lxc is it compiled with ...
- Sun Sep 13, 2015 11:27 am
- Forum: Ground state
- Topic: 24 core running, 48core not for Version 7.10.4 of ABINIT
- Replies: 9
- Views: 6741
Re: 24 core running, 48core not for Version 7.10.4 of ABINIT
Hi, first of all, the right command for mpi configuration is : ./configure --enable-mpi --with-mpi-prefix=/opt/apps/intel11_1/mvapich2/1.6/ --prefix=/home1/03646/onionbit/software/764abinit/abinit-7.6.4/build --enable-64bit-flags but , you can start with a serial version : ./configure --disable-mpi ...
- Thu Sep 10, 2015 8:43 pm
- Forum: Ground state
- Topic: 24 core running, 48core not for Version 7.10.4 of ABINIT
- Replies: 9
- Views: 6741
Re: 24 core running, 48core not for Version 7.10.4 of ABINIT
I think that the last version abinit compatible with intel 11 is 7.6
http://www.abinit.org/downloads/packages/7-6.4
regards
jmb
http://www.abinit.org/downloads/packages/7-6.4
regards
jmb
- Wed Sep 09, 2015 7:56 pm
- Forum: Configuring and compiling ABINIT
- Topic: make errors [SOLVED]
- Replies: 8
- Views: 7929
Re: make errors [SOLVED]
officially, gcc >= 4.6
but abinit 7.10.x works with gcc 4.8 or 4.9
jmb
but abinit 7.10.x works with gcc 4.8 or 4.9
jmb
- Tue Sep 08, 2015 7:38 pm
- Forum: Ground state
- Topic: 24 core running, 48core not for Version 7.10.4 of ABINIT
- Replies: 9
- Views: 6741
Re: 24 core running, 48core not for Version 7.10.4 of ABINIT
Hi,
You can't use ifort 11.x to compile abinit 7.x
for intel compilers, only these versions are supported : >= 12.1.7, >= 13.1.3, >= 14.0.4, == 15.0.3.187
regards
jmb
You can't use ifort 11.x to compile abinit 7.x
for intel compilers, only these versions are supported : >= 12.1.7, >= 13.1.3, >= 14.0.4, == 15.0.3.187
regards
jmb
- Tue Sep 08, 2015 7:36 pm
- Forum: Configuring and compiling ABINIT
- Topic: make errors [SOLVED]
- Replies: 8
- Views: 7929
Re: make errors [SOLVED]
Hi,
You can't use ifort 11 to compile abinit 7
for intel compilers, only these versions are supported : >= 12.1.7, >= 13.1.3, >= 14.0.4, == 15.0.3.187
regards
jmb
You can't use ifort 11 to compile abinit 7
for intel compilers, only these versions are supported : >= 12.1.7, >= 13.1.3, >= 14.0.4, == 15.0.3.187
regards
jmb
- Mon Sep 07, 2015 9:03 pm
- Forum: Configuring and compiling ABINIT
- Topic: make errors [SOLVED]
- Replies: 8
- Views: 7929
Re: make errors [SOLVED]
Hi, in the config.log, I see some problems in the configure command : $ ./configure --prefix=/export1/home/maofei/opt/abinit_v7.10/sopt2 FC=ifort CC=icc CXX=icpc FCFLAGS=-fPIC --with-tardir=/export1/home/maofei/src/plugins --enable-64bit-flags=yes --with-trio-flavor=netcdf+etsf_io+fox --with-netcdf-...
- Tue Aug 11, 2015 9:37 pm
- Forum: Configuring and compiling ABINIT
- Topic: Same time to run with more processors [SOLVED]
- Replies: 3
- Views: 4327
Re: Same time to run with more processors [SOLVED]
Hi, first of all, 7s in 1 CPU is not enough to use this test for scalability evaluation… there are overheads with I/O ( read input file, write results,… ) try to find a test with time around 10 mins… concerning MPICH in SMP ( one computer with some cores ) check the configure : you needs at least : ...