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Re: [abinit-forum] Abinit Parallelism


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  • From: Alain Jacques <ajs.jacques@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Abinit Parallelism
  • Date: Tue, 01 Dec 2009 22:09:18 +0100
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gcc/gfortran 4.2, 4.3 and 4.4 are fine. Intel ifort/icc 10.1, 11.0 and
11.1 are OK, even xlf, g95 ... Abinit is routinely tested with a large
variety of hardware, compilers and MPI implementations. And on Intel
x86, Itanium, PowerPC processors ... I personally use gfortran 4.3.4 and
4.4.2, Intel ifort 10.1 11.1 and openmpi-1.3.3. Any reasonably recent
version of these compilers are fine - only gfortran 4.1.x and prior are
to be avoided and I experienced difficulties with SunStudio and Open64
compilers. And if you are using GW, don't forget to download the patched
abinit-5.8.4p.

For the restart procedure, Matteo will give you much better advices.

Kind regards,

Alain


zahra hooshmand wrote:
> Dear Alian,
> thanks, I will do it and I will give you results. but just another
> question:
> does gcc work too? does other kinds of CPU work, like AMD or others?
> which kind of compiler is suitable then?
> and does abinit have any restart option? for continuing the job from
> stopped level nad to help not beginning from start. For example in GW
> calculations, the screening level is so long, some times it occured to
> me thst due to some problems it stopped after 14 days and I had to
> start it from beginnig. what should I do to avoid such a problems?
>
...



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