ABINIT Discussion Forums

Sorry, still doesn't work. Here is the config.log # LIBS="-lhdf5_hl -lhdf5 -lz -lm" LDFLAGS="-L/share/apps/netcdf/4.1.1-gcc-4.6.1/lib -L/share/apps/hdf5/1.8.5-gcc-4.6.1//lib" ./configure --with-netcdf-module-path=/share/apps/netcdf/4.1.1-gcc-4.6.1/include --with-netcdf-ldflags=&q...

I'm not sure if its listed, but to build abinit, CentOS 6 is needed. The version of gcc on CentOS 5 is too old. Might be nice to see that on the site.

Yup, only the latest cpus have SSE4 Check http://software.intel.com/en-us/article ... mizations/

Here is /proc/cpuinfo: processor : 0 vendor_id : GenuineIntel cpu family : 6 model : 15 model name : Intel(R) Xeon(R) CPU E5345 @ 2.33GHz stepping : 7 cpu MHz : 2327.500 cache size : 4096 KB physical id : 0 siblings : 4 core id : 0 cpu cores : 4 apicid : 0 fpu : yes fpu_exception : yes cpuid level :...

Building abinit and letting the configure script download the atompaw plugin. When I run make, it fails at the following: /share/apps/openmpi/1.4.3-gcc-4.6.1/bin/mpif90 -m64 -ffree-form -m64 -g -ffree-line-length-none -O2 -mtune=native -march=native -mfpmath=sse -c -o atompaw_prog.o atompaw_prog.f90...

So my curiosity was simply jumping the gun. Ok, thanks.

The binaries available from ETSF.eu do not work. I'm running CentOS 5, 64bit. I've tried it on a Dell workstation with Intel Xeon processors. I try a sample file in the tutorial directory, abinit reads it, then exits with Illegal Instruction. Kernel log shows abinit crashed with invalid optcode. I s...

I setup and configured netcdf/hdf5 according to their documentation with mpi for parallel I/O. When ABINIT goes through its configure step, it reports that MPI i/O doesn't work. Checking the config.log shows the following: configure:28401: checking whether NetCDF supports MPI I/O configure:28413: /s...

Trying to build the prereqs, already have netcdf-4.1.1(including hdf5-1.8.5) built and tested. I run configure for etsf-io and it fails: ./configure --with-netcdf-module-path=/share/apps/netcdf/4.1.1-gcc-4.6.1/include --with-netcdf-ldflags="`/share/apps/netcdf/4.1.1-gcc-4.6.1/bin/nc-config --li...