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pariah

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[求助] 求一份完整的編譯abinit的資源貼

剛看到一位同學(xué)對并行mpi編譯的問題，因為自己最近也在弄，所以想有已經(jīng)成功編譯好的給大家一個完整的在各種linux版本下的編譯過程，（abinit 論壇上有給出ubuntu下的從clear 系統(tǒng)的完整安裝）
我最近也編譯了并行的abinit，貌似安裝都良好，但是中間還是有一些warning，比如缺少什么libxc netcdf atompaw之類的，但是這些我都手動下載放到了.abinit/tarball里了。不知到對程序有沒有影響。在我穿行運行時../../../bin/abini MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 14.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
當我并行 mpirun -np 2 ..... 提示
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 14.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
[root@Pariah Work_paral]# mpirun -np 2 ../../../../src/98_main/abinitlog
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 14.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun has exited due to process rank 0 with PID 3563 on
node Pariah exiting improperly. There are two reasons this could occur:

1. this process did not call "init" before exiting, but others in
the job did. This can cause a job to hang indefinitely while it waits
for all processes to call "init". By rule, if one process calls "init",
then ALL processes must call "init" prior to termination.

2. this process called "init", but exited without calling "finalize".
By rule, all processes that call "init" MUST call "finalize" prior to
exiting or it will be considered an "abnormal termination"

This may have caused other processes in the application to be
terminated by signals sent by mpirun (as reported here).
不知到如何解決，我的系統(tǒng)是fedora15 不知是否有同學(xué)在fedora下完整編譯過并行的abinit

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1樓 2011-12-06 12:52:14

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pariah

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★ ★ ★
fzx2008(金幣+3): 謝謝分享 2011-12-17 19:34:09
cenwanglai: 2011-12-23 22:01:35

problem solved, share with all users
for ubuntu user (all from clear installation)

CODE:

apt-get install gcc gfortran

apt-get install patch

apt-get install libnetcdf4 libnetcdf-dev

apt-get install fftw3 libfftw3-dev

apt-get install libatlas-base-dev libatlas3gf-base

apt-get install liblapack3gf liblapack-dev

apt-get install libblas3gf libblas-dev

apt-get install openmpi-bin openmpi-common libopenmpi-dev

build a "build.ac"file

CODE:

 enable_mpi="yes"

enable_mpi_io="yes"

with_mpi_prefix="depend on where your mpi bins located"

with_netcdf_incs="-I/usr/include"

with_netcdf_libs="-L/usr/lib64 -lnetcdf -lnetcdff"

with_fft_flavor="fftw3"

with_fft_incs="-I/usr/include/"

with_fft_libs="-L/usr/lib64 -lfftw3"

with_linalg_flavor="atlas"

with_linalg_libs="-L/usr/lib64 -llapack -lf77blas -lcblas -latlas"

with_dft-flavor="atompaw+bigdft+libxc+wannier90" #if you have problem with downloading the corresponding files,just downloading them manuely and put them in .abinit/tarballs/"

enable_gw_dpc="yes"

then type ./configure --with-config-file="./build.ac"
make mj4 #the number 4 here is according to how many processors your computer has
make install
for fedora/redhat/centos users

CODE:

 yum install gcc-gfortran

yum install netcdf

yum install netcdf-devel

yum install atlas

yum install atlas-devel

yum install fftw3

yum install fftw3-devel

yum install libxc

yum install libxc-devel

yum isntall patch

here is the trick for yum users, if you install the openmpi use "yum",you will get the latest version of openmpi,named 1.5.*,but this version is ubstable and be proved uncompatible with abinit.So you have to download the stable version,like 1.4.3 to compile abinit source code 

the bulid.ac file almost same 

then type ./configure --with-config-file="build.ac"

make mj4

make install

good luck, enjoy

贊一下(3人)

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2樓2011-12-17 18:49:22

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