ABINIT Discussion Forums

Thanks a lot for your quick and promising reply!

Hi, does ABINIT 6.10 support multiple GPU's? I know that only some functionality utilises the GPU. My question really is if it can for that utilise more than one GPU at a time? I had a look at the source code and would guess it cannot. However, I read about a ABINIT test system ("buda") wi...

Thank you very much for your reply, rangel!

Hello Which is the latest version of BigDFT that can be used with Abinit? With the abinit source code come version 1.2.0.1, however on the BigDFT website there is already version 1.5 available. I would like to utilise my GPU for calculations in abinit and the latest version of BigDFT allow this, tha...

Hi I've set up Abinit 6.8.2 on my ubuntu 10.04 64bit system with MPI and CUDA enabled. It compiles and builds without errors, also almost all internal tests (make tests_acc) and (make tests_paral) run successful. Just one fails: ./tutorespfn/tmp-test_Linux_20111004/report: Case_elphon_5 failed (too ...

Thank you for the link! I was able to make it work, with some changes in 'run-parallel-tests.pl' as follows: Adding my machine name to "@MachList" and adding this section ... elsif ($MACH eq 'ubuntu') { # see question part for an explanation on this $MPICH = 2; # this enables OPENMPI $OPEN...

Compiling Wannier90 with LAPACK and ATLAS (and NOT standard BLAS from the ubuntu repo) and linking against these library when compiling Abinit solved the problem.

Also, if I do make tests_in I get this error for all installations: echo "Running built-in test in_wannier90" Running built-in test in_wannier90 timeout="0" /usr/bin/perl ../../tests/Scripts/run-basic-tests.pl built-in in_wannier90 /home/cudauser/ABINIT_SOURCE/nMPInCUDA/.. STOP w...

Hello I got one question about the built-in testing suite: Why do I need "make" for running tests? Shouldn't it just be calling the abinit installation with some input parameters instead of building code? Or does it in fact not build code at all? Then, I've installed three 'flavours' of AB...

Hi, I'm running Ubuntu 10.04 64bit with ABINIT 6.8.2 and enabled OpenMPI 1.4.1-2 as well as CUDA 4.0. The output of ../configure says MPI and CUDA are enabled. I successfully built it as well and run the following test without any problems. make tests_acc4 However, when I try make tests_paral paral_...

Thank you!

Is it possible to have multiple installations of ABINIT 6.8.2 (or even other versions) on the same computer with Ubuntu 10.04? I think it is, all I have to do is to specify a different installation directory by adding "--prefix=<dir-to-install-to>" when doing "../configure". Howe...