[Pw_forum] 回复： espresso installation problem

[Huiqun Zhou]

Hi,

If your error message really indicates that fftw is the problem, I'd like to
guess that the way you linked your espresso programs is the issue. You may 
linked the programs with fftw dynamically, while your fftw is only installed
on your fronted, so that when the program is distributed to the compute nodes,
the program could not find where the .so file is at these nodes.

You may need to install fftw either on every compute nodes, or under a network
shared directory, or link quantum espresso with fftw statically.

As you didn't show us your error message, the above is just a guess.


Huiqun Zhou
@Earth Sciences, Nanjing University, China



----- 原始邮件 -----
发件人: Ajanta Maity <ajmaityjnu at gmail.com>
收件人: pw forum <pw_forum at pwscf.org>
已发送邮件: Wed, 06 Aug 2014 02:57:24 +0800 (CST)
主题: [Pw_forum] espresso installation problem

Hello all,
I am trying to configure espresso 5.1 on a cluster having Centos6. After
the make all command i get following error.

make[2]: *** [pw.x] Error 1
make[2]: Leaving directory `/c9gpfs/c9scratch/user/qe/espresso-5.1/PW/src'
make[1]: *** [pw] Error 1
make[1]: Leaving directory `/c9gpfs/c9scratch/user/qe/espresso-5.1/PW'
make: *** [pw] Error 1
It seems the some FFTW lib problem and i am very new to all this. Any help
will be greatly appreciated.
Thanks
Ajanta
Research Scholar
Harish Chandra Research Institute,
Allahabad,India