24小时热门版块排行榜

返回列表

pariah

铜虫 (小有名气)

应助: 6 (幼儿园)
金币: 41.4
散金: 5
红花: 4
帖子: 135
在线: 171.3小时
虫号: 1320067
注册: 2011-06-10
专业: 光学

[求助] 求一份完整的编译abinit的资源贴

刚看到一位同学对并行mpi编译的问题，因为自己最近也在弄，所以想有已经成功编译好的给大家一个完整的在各种linux版本下的编译过程，（abinit 论坛上有给出ubuntu下的从clear 系统的完整安装）
我最近也编译了并行的abinit，貌似安装都良好，但是中间还是有一些warning，比如缺少什么libxc netcdf atompaw之类的，但是这些我都手动下载放到了.abinit/tarball里了。不知到对程序有没有影响。在我穿行运行时../../../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.
当我并行 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).
不知到如何解决，我的系统是fedora15 不知是否有同学在fedora下完整编译过并行的abinit

回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:

求问abinit-5.8.4编译已经有6人回复
abinit编译错误已经有3人回复
谁有已编译好的ABINIT，给我传下已经有4人回复
如何用pathscale + openmpi 编译Abinit？已经有7人回复
【求助】abinit和Siesta的请进啊，，，两软件各有什么特点已经有13人回复
【求助】编译Abinit6.4.1出错已经有5人回复
【求助】为什么abinit-6.2.3 tutorial 里面的lesson3运行不了? 已经有7人回复
【求助】求助：安装abinit-6.2.3出现错误已经有12人回复
【求助】Abinit, Pwscf 软件选择问题已经有15人回复
【求助】abinit编译安装的并行和串行问题已经有9人回复

1楼 2011-12-06 12:52:14

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

pariah

铜虫 (小有名气)

应助: 6 (幼儿园)
金币: 41.4
散金: 5
红花: 4
帖子: 135
在线: 171.3小时
虫号: 1320067
注册: 2011-06-10
专业: 光学

★ ★ ★
fzx2008(金币+3): 谢谢分享 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

赞一下(3人)

回复此楼

2楼2011-12-17 18:49:22

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

相关版块跳转我要订阅楼主 pariah 的主题更新

返回列表