ABINIT Discussion Forums

Sounds good, thanks again for the help. How can I tell if I have cores overloading?

While I am running the tests, I have between 2 and 4 abinit processes running, each at 4 threads, fluctuating between using 90 and 260% of the cpu each according to activity monitor.

Success! Thank you very much for all your help! Here are the configure options I used: ../configure FCCPP=/usr/local/gfortran/bin/cpp CFLAGS_OPTIM="-O2" FCFLAGS_OPTIM="-O2" --enable-mpi="yes" --enable-optim="yes" --with-mpi-prefix="/usr/local/Cellar/open-...

libopenblas.dylib and libopenblas_sandybridgep-r0.2.5.dylib are the only libraries in /usr/local/Cellar/openblas/0.2.5/lib
Should I also compile openblas from source to ensure all the libraries I need are present? I got openblas from homebrew/science
https://github.com/Homebrew/homebrew-sc ... penblas.rb

Here's the output of config.log pertaining to linear algebra support. configure:30017: checking for the requested linear algebra support configure:30019: result: goto configure:30050: checking whether to select a fallback for linear algebra configure:30058: result: no configure:30083: checking for B...

Thank you, installing fftw from source worked. Here is the summary from configure: Summary of important options: * C compiler : gnu version * Fortran compiler: gnu version 4.6 * architecture : ( bits) * debugging : basic * optimizations : yes * OpenMP enabled : no (collapse: ignored) * MPI enabled :...

I do indeed have the file libfftw3f.dylib. When I search the output of nm libfftw3.3.dylib, I can find T _fftw_execute_ but dfftw cannot be found. I get the same error after removing FC and CC and adding the two lines to my path and library path before running configure. I attempted to reinstall fft...

configure:33167: checking for the requested FFT support configure:33169: result: fftw3 configure:33571: /Users/michalplucinski/Downloads/abinit-7.0.4/tmp/config/wrappers/wrap-mpiLFC -o conftest -g -ffree-line-length-none conftest.F90 -L/usr/local/Cellar/fftw/3.3.2/lib -lfftw3 -L/usr/local/Cellar/ff...

Here are the settings I am using: FC=usr/local/bin/gfortran/ CC=/usr/local/gfortran/bin/gcc FCCPP=/usr/local/gfortran/bin/cpp --enable-mpi="yes" --enable-optim="yes" CFLAGS_OPTIM="-O2" FCFLAGS_OPTIM="-O2" --with-mpi-prefix="/usr/local/Cellar/open-mpi/1.6....

homebrew does have openblas, does that also include lapack or would I need another package for that? It also has a separate lapack package.

I recompiled with the setting --with-linalg-flavor="none", and that seems to have gotten rid of the seg faults. Running tests_v1, the majority complete in 0-3 seconds, with the longest taking 23 seconds and the 2nd longest 7s. Would you think it's worth it to recompile with a different ver...

Should I recompile with the setting --with-linalg-flavor="none" or do I have any other options that would have lower performance penalties?

Hello Alain, Here are the results of running otool, LAPACK and BLAS are mentioned as you suspected. Michals-MacBook-Pro:98_main michalplucinski$ otool -L abinit abinit: /System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A/libLAPACK.dylib (compatibility ve...

Thank you very much for your help. I managed to compile and install abinit with the settings you recommended. However, when running make tests_min and tests_acc, I am getting a lot of "Segmentation fault: 11" errors. How can I check the version of GCC that is being used, if it is compiled ...

Hello, I'm attempting to compile abinit 7.0.4 on OSX Mountain Lion, and I ran into the same issue nikhilsd was having. I was able to get past that compiler error using the configure flags suggested, but I have run into another error that I do not know how to resolve. I'm running configure with the f...