ABINIT Discussion Forums

Hi,

the size of the package is exactly 58474634 bytes

if the command :



completes without error, is that the package is complete !

concerning the problem with configure, what's exactly the error message ?

regards

jmb

hi, there are a lot of problems with 6.10 and OpenMP but try with 6.12.1 and with this config file : FC = ifort CC = icc CXX = icpc enable_gw_dpc = yes enable_mpi = no with_dft_flavor = atompaw+bigdft+libxc+wannier90 with_fft_flavor = fftw3 with_fft_libs = -L/opt/intel/composerxe/mkl/lib/intel64 -Wl...

hello, this .ac file is working with abinit 6.12.1 and with intel 11.1 under CentOS 5.7/xeon ( but it should be work with intel 12.1 ) enable_gw_dpc = yes enable_mpi = yes enable_mpi_io = yes with_mpi_prefix = /usr/local/openmpi_intel with_dft_flavor = atompaw+bigdft+libxc+wannier90 with_fft_flavor ...

HI,

I don't known if your issue is related to the mpich2 version, but I encountered this kind of problem with mpich2 1.4.x

see for example, viewtopic.php?f=3&t=1459&p=4537&hilit=mpich2#p4538

it works with the mpich2 1.5.a2

regards

jmb

Dear Xiaole, My problem has been sovled according to the solution of jmb see http://forum.abinit.org/viewtopic.php?f=2&t=1452 it seem like the version 1.5- openmpi doesnt work well with abinit promlem sovled I finally understood why ABINIT does not work with the "native" fedora openmpi...

Hi,

did you ever try the binary package ( http://www.etsf.eu/resources/software/e ... ory#ABINIT ) ?

jmb

Hi, abinit<t1x.files>&log I do not get all the files mentioned in the tutorial. What I get instead are: log t11.in t11.out t11.outA t1x.files Did you examine the contents of log and *.out files ? If you don't see "Calculation Completed." at the end of theses files, that there is a prob...

Hi, ./configure --enable-mpi=no FC=/opt/intel/composerxe-2011.0.084/bin/intel64/ifort ... echo "Running built-in test in_1" Running built-in test in_1 cd tests ; /usr/bin/perl .././tests/Scripts/run-basic-tests.pl built-in in_1 /home/wychem/rs244/abinit-6.10.1 ../../../src/98_main/abinit: ...

Hello, To make you wait, we can read in the release notes (abstract) of 6.12.1 version ( not yet released ) B. Most noticeable achievements B.1 The Ground-state calculations can benefit from GPUs, with CUDA library. See the input variable use_gpu_cuda, as well as the tests contained in the tests/gpu...

Hi, yes I had a wrong line (with_fft_libs="/opt/shared_libs/lib/libfftw3"). I changed it to "with_fft_libs="-L/opt/shared_libs/lib -lfftw3" and now the FFT libs are OK. However I thought that the style "-L/path/to/lib/dir -lname" is used to link dynamic libs not st...

Hi Sergei, I'm not a specialist of ubuntu but the 6.10.3 is working with recipe for ubuntu 10.04 can you tell me which version of openmpi was installed under 10.10 ? under 10.04 , it's 1.4.1 : we don't support yet 1.5 same for mpich : don't use mpich > 1.3.x : there is a bug in version 1.4.x correct...

Hi, Thnx but my version is 1.0.7 according to this : # /opt/mpich2/gnu/bin/mpif90 -v mpif90 for 1.0.7 gcc versión 4.1.2 20071124 (Red Hat 4.1.2-42) sorry but it's a very too version of mpich2 the oldest version tested in our test farm is 1.2.1 it is difficult thing for me to solve the problem with s...

Hi, what is the version of MPICH2 ? there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206 you must use 1.3.x or the svn version regards jmb How do I find out the version of mpich? mpif90 -v mpif90 for MPICH2 version 1.3 jmb

Hi,

what is the version of MPICH2 ?

there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206

you must use 1.3.x or the svn version

regards

jmb

Dear xiangpisai,

which is the version of your OS ?
the error can be explained if the version is 10.6.7 or less...

jmb

HI, I would like to share my experience with the MPI packages with ABinit 6.10.x under Fedora Core 16 ( x86_64 ) I tried with theses two packages without success openmpi-1.5-4.fc16.x86_64 openmpi-devel-1.5-4.fc16.x86_64 mpich2-1.4.1p1-1.fc16.x86_64 mpich2-devel-1.4.1p1-1.fc16.x86_64 1) OpenMPI => ru...

Hi, I suppose that your iMac2011 runs under Lion (10.7.x)... I download and install the binaries found on : http://gcc.gnu.org/wiki/GFortranBinaries#MacOS ( gcc v4.6.2 ) I add/ajust in my environment : export PATH=/usr/local/gfortran/bin:$PATH export DYLD_LIBRARY_PATH=/usr/local/gfortran/lib:$DYLD_L...

Hi, in the config.log, you see that the "libmpi.so.1" library is not found : ... configure:11026: $? = 0 configure:11033: ./conftest ./conftest: error while loading shared libraries: libmpi.so.1: cannot open shared object file: No such file or directory configure:11037: $? = 127 ... initia...

Hi,

mpirun -n 24 -hostfile hostlist abinit<>&log &

perhaps, you forgot input files

mpirun -n 24 -hostfile hostlist abinit < files >& log &

jmb

problem of privileges...

you can try :



jmb

Hi,

where is the problem ?

Configuration complete successfully...
make also...

mab wrote:zemzemi@linux-6akw:~/DossierCalcul/Dossier_Abinit/abinit-6.10.1>

now, you can :



or



as indicated at the end of make

regards

jmb

Hi Steve,

if you want , you can try the "atompaw.exe" version 3.0.1 ( natif 64 bits windows binary )

link = http://ftp.abinit.org/atompaw.zip

good luck

jmb

Hi ByoungSeon, for information, I successed to compile sequential ABINIT 6.9.1 (patched by me (not published)) with the AMD version of open64 ( 4.2.5.1 ) ( m ) under a HP/DL185 ( 2x OctoOpteron ) the result of tests are pretty good... 6.9.1-private/r694 ==============================================...

Hi, I should use exactly dots in " ..\..\bin\mpiexec -localonly 2 ..\..\bin\abinit < "t_kpt+spin.files" or replace with directory? you can replace with directory ( full path ) - start as administrator , a "command prompt" to start smpd bin\smpd -install only this command is ...

Hi Steve,

do you already try the version found on "http://ftp.abinit.org/abinit-6.6.2_i686_cygwin_gnu4.5.zip"

( it is a 64bit binary suitable for Windows 7 )

you can see the topics "http://forum.abinit.org/viewtopic.php?f=2&t=1022" for more infos

regards

jmb