ABINIT Discussion Forums

Hi, The windows 64bit version surprisingly surpasses all kind of problem, and can work eventually. Any suggestions about 64 bit compiling? Shall I just add "--with-64-bit-flag"? sorry, but I don't understand your question... - have you use the win 64bits binary version available in the abi...

Hi Frédéric, - scalapack is not yet supported - try first with : export LD_LIBRARY_PATH=/usr/lib64/openmpi/1.4-gcc/lib:$LD_LIBRARY_PATH export PATH=/usr/lib64/openmpi/1.4-gcc/bin:$PATH ./configure --prefix=/home/bouyer/workdir/abinit --enable-mpi --with-mpi-prefix=/usr/lib64/openmpi/1.4-gcc jmb

Hi ljludwig,, the correct syntax is : ./configure --prefix=XX --enable-mpi --with-mpi-prefix=/home/XX/software/mpi/ concerning "mj4" , after configure, you can find in Makefile : # Default number of processors for parallel builds multi_nprocs = 4 ... # Special targets for parallel builds, ...

Dear arsylik, I noticed that there could have a problem with your command (even with Alain's correction) ./configure --enable-mpi FC=mpif90 --with-mpi-prefix="/usr/lib/mpi/gcc/openmpi" --with-linalg-libs="-llapack -lblas" if you want to use your own linalg libs, you need to add (...

Hi, we have two bots in our test farm : xlf 9.1 under Suse 9 / Power5 ( very old config ) xlf 12.1 under AIX 6.1 / Power6 and 6.12.3 working but you must use the "wrapper" to compile with xlf 9.x ( and perhaps xlf 10.1 ) ( not need with xlf 12.1 ) you can see a "raw" config used ...

Hi Fabien, with intel 12.1 under openSUSE 12.1 , "./configure FC=ifort CC=icc" works Summary of important options: * C compiler : intel version 12.1 * Fortran compiler: intel version 12.1 * architecture : unknown unknown (64 bits) * debugging : basic * optimizations : standard * OpenMP ena...

Evren, About GSL, you seem to be using CFLAGS_EXTRA="-I/usr/local/gsl/include" I have already gave with_math_incs="-I/usr/local/gsl/include" and expected that this would be enough. As long as you use CFLAGS_EXTRA (which as I understand is a general extra flags variable) why bothe...

hi, 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. on our testfarm, we have a bot with slurm and, as workaround, we create a symbolic in mpich2/bin [buildbot@max2 bin]$ ll ...

Evan,

and in fallbacks/exports/bin/, is there a "atompaw-abinit" binary ?

jmb

very soon, early next week, the version 7.0.1-rc1 should be completed and
then, I hope so, in one or two weeks, the final 7.0.1 will be available ...

jmb

Hi, But It didn't work so I simply linked the .../lib to the .../lib64. This is not a nice way to recover it but it works. for information, this "problem" is solved in the build system of Abinit version 7 2 bots in our testfarm run now on openSUSE 12.1 and Fedora 16, both OS know to use li...

Hi future_wl, I wander that is there any relation between "autopaw" and "openmpi", and how can I successfully compiled abinit with openmpi and "autopaw" simultaneously? I think there is no relation between... and how can I successfully compiled abinit with openmpi and &...

Hi, link on page : m compiled with gcc 4.5.1 , mpich2 1.3 and Gotoblas2 1.13 static : only depends of some system libs : ldd abinit linux-vdso.so.1 => (0x00007fff10da4000) librt.so.1 => /lib64/librt.so.1 (0x0000003e31200000) libpthread.so.0 => /lib64/libpthread.so.0 (0x0000003e30200000) libm.so.6 =>...

Hi, I'm not sure but it seems that this is a problem with your openmpi ifort: command line warning #10156: ignoring option '-r'; no argument required ifort: command line warning #10156: ignoring option '-r'; no argument required ipo: error #11021: OBJREAD Error: Could not create mapping for /opt/ope...

Hi, I met a similar problem when configuring and making abinit 6.12.3 that atompaw play a key role. If I took atompaw in the "with-dft-favor", it will occur an unexpected error when installation, however ,if I don't write "atompaw" in "with-dft-favor" manually, the inst...

Hi, we have a bot with CentOS 6.3 / Xeon W3520 and ifort 12.1.4 with openmpi 1.6.0 we compile with the same options ( -O2 -xHost -g -extend-source -vec-report0 -noaltparam -nofpscomp ) and it works : [buildbot@coba2 77_ddb]$ ifort -V Intel(R) Fortran Intel(R) 64 Compiler XE for applications running ...

Hi Thanusit,

for info, the use of version intel 12.1.4 under CentOS 6.2 works with abinit....

regards

jmb

Hi,

abinit run natively under the "command prompt" of Windows and ALSO under cygwin...

the DLL were missing in the package : a new package is available !

sorry,

jmb

Hi, Error: checking for patch.........no configure: error: BigDFT requires patch-disable BigDFT or install patch the answers are suggested : "disable BigDFT or install patch" to disable BigDFT, add to configure --with-dft-flavor="atompaw+libxc+wannier90" or install "patch&qu...

Hi, I didn't remember precisely why but it's better to use the intel version 11.1.073 ( in any case to use mpiio ) concerning the problem to use mkl and/or the compile atompaw, this is my recipe working on our test farm : before to run configure, set your env by ( I use the paths of your env, you re...

Hi, 5.Unfortunately, even it compiles ans installs successfully (abinit generated in /bin folder), abinit still cannot run, use command mpirun -np 12 /usrname/software/abinit-6.12.3/bin/abinit <filename.files>& log the log file shows Fatal error in MPI_Init: Other MPI error what are the results ...

Hi Igor,

the very old gcc 4.1.2 is anymore supported for abinit...

at least, upgrade to 4.4.x

jmb

Hi...

fixed...

sorry for the delay...

jmb

Dear Thomas, first of all, use intel compilers 11.1.073 or >= 12.1. 4 when I use intel compilers, I use fftw3 implemented under mkl like : with_fft_flavor="fftw3" with_fft_libs="-L/opt/intel/Compiler/11.1/current/mkl/lib/em64t -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_...

Dear All, A new binary package for Abinit 7.4.3 for Windows 64bits has been posted on the ABINIT website and can be downloaded from here . Abinit 7.4.3 is the latest production release as of 20/10/2013 . This 64bit Windows version comes with all advertised plugins and required libraries. It passes t...