ABINIT Discussion Forums

I am getting the following error when compiling with mvapich2 1.9b, please let me know if there is more information I can provide... Thanks! Evren mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/export/modules/devel/fftw/3.3.3/gnu/include -I/home/eyurtese/tmp/abinit-7.2.1/fal...

ah right, it seems to use 03 and not O3!!!

Now I wonder, is this a known bug? somebody put 0 instead of O into files or did I do this somehow?

checking whether we are using the GNU Fortran compiler... no checking whether mpif90 accepts -g... yes checking if libtool supports shared libraries... yes checking whether to build shared libraries... no checking whether to build static libraries... yes libtool.m4: error: problem compiling FC test...

Problem appears to be continuing with 7.0.5.
Please let us know how to aid further in fixing the issue!

Problem still continues with 7.0.5 release. I still have been using the same workaround of changing DEFAULT_INCLUDES in src/01_gsl_ext/Makefile DEFAULT_INCLUDES = -I. -I$(top_builddir) -I$(GSL_INCLUDE) Since configure finds GSL correctly, I still say this is a bug. Please fix the configure system. T...

Problem appears to be continuing with 7.0.4

Hello, I am not sure if this is the right place to post this. But here it goes: I recently built abinit 7.0.3 and it is crashing with a specific dataset. I normally build it with ATLAS, FFTW, GSL and MVAPICH2 but I also tried with OpenMPI and without any special libraries (using the defaults). I als...

The problem continues with 7.0.3 release! I am sorry to say that this is a bug and it should be fixed. Making all in 01_gsl_ext make[5]: Entering directory `/home/eyurtese/tmp/abinit-7.0.3/src/01_gsl_ext' mpicc -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home/eyurtese/tmp/abinit...

Actually, I sort of forgot that the thread I made was about ACML While ATLAS does not obey the openmp environment variables, ACML actually is able to run with 1 thread. The question now is if there is a performance penalty of running threaded acml with 1 thread, compared to serial acml I will let yo...

It appears when ATLAS is configured to run with a specific number of threads, it ignores OMP_NUM_THREADS variable.

I understand that. I am building packages for a cluster so I wanted to make sure that the settings were not badly selected. It is difficult to teach people how to run their programs. It is diffult to make people set environment variables As far as I understand, it would be best to use OMP_NUM_THREAD...

Is there any difference between using ACML or ACML MP?

The reason I am asking is if I start 4 MPI jobs on a machine with 4 cores, if I use acml mp, will each mpi job make 4 threads (totaling up to 16?)

Thanks,
Evren

It seems that this is the trick for the version 6.12.3... ( without CFLAGS_EXTRA, I have the same error ) but , good news, the problem is solved in version 7.0.3 ( this version will be released in 2 weeks ) Hi, Thats great news. I am trying to make packages which will be used in HPC clusters, I jus...

About slurm, thanks for the script, your script does not seem to be running (I fixed the srun path) and I didnt try to debug it since we just taught people to use srun My point was that it is premature to decide that the MPI support is broken because mpiexec is missing. Missing mpiexec "will no...

I am not sure if the following are bugs or not but, but they look like it. Feel free to comment SLURM problem: We are using mvapich2 with slurm and there is no 'mpirun/mpiexec' due to this (srun is used). It appears the configure script thinks MPI is broken due to this. I had to use CC, FC, CXX env ...