[Wien] WG: Wien2k_08 on SuSE Linux 11

[Gerhard Fecher]

You may try

current:FOPT:-FR -w -mp1 -prec_div -pad -DINTEL_VML -O3 -xP
current:LDFLAGS:-L/opt/intel/fce/10.1.017/lib -static -lsvml -lguide -lpthread
current:R_LIBS:-L/opt/intel/mkl/10.0.3.020/lib/em64t -lmkl_lapack -lmkl_em64t -lmkl_core -lguide -lpthread

if you have the same pathes like me, check also if you need -xT instead of -xP (see quick optimization guide of Intel) use cat /proc/cpuinfo to check for the processor.

8.2 is running without problems on my Core 2 Duo T9500 and 64-bit SUSE 11,
as well as on a Quad Core Qxxxx and a Quadcore XEON both with 64-bit SUSE 10.3,
all have the options as above with only differing in the -xProcessor switches.


Ciao
Gerhard
________________________________________
Von: Yang Li [YLi at mercury.brooklyn.cuny.edu]
Gesendet: Montag, 28. Juli 2008 18:41
An: Gerhard Fecher
Betreff: Re: [Wien] Wien2k_08 on SuSE Linux 11

Hi, Dr. Fecher,



Thank you for your reply. I’m just new to the mailing list, subscribed to the digest mode and I just got the message.



Your instruction on Suse 10.1 was very helpful to me with my old Pentium 4 computer. But I am now switching onto a new Intel Core 2 Duo E6750 (2.66GHz dual core), and installing 64-bit Suse 11.



I’ll try it with old instruction first and I’m looking forward to your update.



Thank you again.





Best regards,

Yang







Message: 14

Date: Thu, 24 Jul 2008 14:40:15 +0200

From: Gerhard Fecher <fecher at uni-mainz.de>

Subject: Re: [Wien] Wien2k_08 on SuSE Linux 11

To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>

Message-ID:

      <551BC937066FA145B7584B4AA8DA550386B2D6910B at EXCHANGE-01.zdv.uni-mainz.de>



Content-Type: text/plain; charset="us-ascii"



I didn't try 11  it up to know, but there should be no principal difference.



If your CPU allows, take care to install the 64-bit version, that prevents most of the troubles with segmentation faults etc.

There may be also differences if you install Suse from scratch or as an update, in the latter case there might be some remaining "bad" libraries.

I suggest to save the home directory (if its not on an own partition) and then use a fresh installation.

(A lot of problems with compilation reported in the past appeared on updated systems but not on fresh installations.)



Actually I'm travelling arround and it may take some days before I have time to test and update the instructions.



Ciao

Gerhard



________________________________________

Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Yang Li [wien2k8 at gmail.com]

Gesendet: Donnerstag, 24. Juli 2008 03:47

An: wien at zeus.theochem.tuwien.ac.at

Betreff: [Wien] Wien2k_08 on SuSE Linux 11



Hi, all,



Anyone knows how to properly install Wien2k_08 on the SuSE Linux 11, in

order that the software is fully compiled.



Most people have a detailed instruction by Gerhard H. Fecher on how to

install wien2k on SuSE 10.1, step by step. With working version of ifort and

mkl, and all the adjustments that have to be done on those compilers.



Anyone has the updated version of this or has successfully done this on SuSE

11, please help.



Thanks in advance.



Y. L.



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