Re: [Wien] compilation problem

2021-11-27 Thread Peter Blaha
I think you made everything ok. You are limited by the memory access (50GB/s with DDR4-3200 memory). The most recent Intel processors support DDR5 RAM, which boosts the memory access from 50 to 77 GB/s. They should be significantly faster under full load. Fast memory is more important than cl

[Wien] compilation problem

2021-11-26 Thread SANDEEP ARORA
Dear wien2k user i have installed the wien2k 21.1 in a laptop with following configuration CPU: 8-Core 11th Gen Intel Core i7-11800H (-MT MCP-) speed/min/max: 4265/800/4600 MHz Kernel: 5.11.0-40-generic x86_64 Up: 1h 28m Mem: 2414.9/15743.8 MiB (15.3%) Storage: 953.87 GiB (5.2% used) Procs:

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread shamik chakrabarti
Dear wien2k users, Our problem is solved. There is an error of "space" in R_LIBS option. Thanks for your responses. with regards, On Thu, Feb 13, 2014 at 12:12 PM, shamik chakrabarti wrote: > Dear wien2k users, > >Thanks for your response. But still we have not ab

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread shamik chakrabarti
Dear wien2k users, Thanks for your response. But still we have not able to solve the problem.We are using recent version of compiler consists of both fortran and mkl library: Composer_xe_2013_Sp1.1.106. We are using Red-Hat linux. We are installing wien2k 13 and have set the following options:

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread Gavin Abo
If I search the net, I can find a linux library "-lpthread" and a mkl thread library "-lmkl_intel_thread". However, I cannot find a mkl thread library called "lmkl_lpthread.so" or "-lmkl_lpthread". These libraries might not exist. On 2/12/2014 3:40 PM, Peter Blaha wrote: The message looks to

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread Peter Blaha
The message looks to me as if you have missed the "-" sign in front of the -lmkl_lpthread statement in your linker or R_LIB line. We are trying to install wien2k version 13 in our system. During compilation we are getting stuck due to an error message: *ld: can not able to find lmkl_

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread Gavin Abo
Excellent description, but I would suggest replacing ifortvars.sh (for only ifort) with compilervars.sh (for ifort+mkl). The standard method is to (before compilation) do source COMPOSER_PATH/bin/ifortvars.sh CPUTYPE where COMPOSER_PATH is where you put the compiler, and CPUTYPE is either int

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread Laurence Marks
The standard method is to (before compilation) do source COMPOSER_PATH/bin/ifortvars.sh CPUTYPE where COMPOSER_PATH is where you put the compiler, and CPUTYPE is either intel64 or ia32 For COMPOSER_PATH you can use the generic such as /opt/intel/composer (which links to the latest version instal

Re: [Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread susanta mohanta
try with these options. it may work. current:FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -O1 -traceback current:LDFLAGS:$(FOPT) -L/opt/intel/composerxe-2011.3.174/compiler/lib/intel64 -shared-intel -lsvml -openmp -lpthread current:DPARALLEL:'-DParallel' current:R_LIBS:-L/opt/intel/composerxe-20

[Wien] Compilation problem due to not able to find path for mkl libraries

2014-02-12 Thread shamik chakrabarti
Dear Wien2k users, We are trying to install wien2k version 13 in our system. During compilation we are getting stuck due to an error message: *ld: can not able to find lmkl_lpthread.so* we have taken the following measure but get no success so far: (1) checked the correctness of mkl librar

[Wien] compilation problem

2012-08-07 Thread Jameson Maibam
Choose I for the compiling option, download the attatched file for licence. ? Good luck Jameson From: AJAY SINGH VERMA To: wien zeus Sent: Tuesday, 7 August 2012 11:14 AM Subject: [Wien] compilation problem sir as? i have 12.1 version of compiler but

[Wien] compilation problem

2012-08-07 Thread AJAY SINGH VERMA
sir as i have 12.1 version of compiler but it doesn't come in the option ILinux (Intel ifort 12.0 compiler + mkl ) JLinux (Intel ifort 9 or 10 compiler + mkl 9.0 ) KLinux (Intel ifort 11.0 compiler + mkl ) K1 Linux (Intel ifort 11.1 compiler + mkl ) A

[Wien] compilation problem

2012-08-07 Thread Fecher, Gerhard
2 08:03 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] compilation problem Choose I for the compiling option, download the attatched file for licence. Good luck Jameson From: AJAY SINGH VERMA To: wien zeus Sent: Tuesday, 7 August 2012 11:14 AM Subject: [Wien] compilation problem sir

[Wien] compilation problem for the installation of wien2k

2012-03-26 Thread Laurence Marks
Please read the file compile.msg for the specifics of the errors. I expect that you have not specified the mkl libraries correctly. Please check the mailing list, particularly the Intel linking guide page. Note, if you do not provide more information, nobody can help you. Also, you should try and

[Wien] compilation problem for the installation of wien2k

2012-02-07 Thread Madhav Ghimire
Dear Wien users, I have installed centos 6 in my pc and successfully installed the fortran compiler as /opt/intel/composer_xe_2011_sp1/bin/ifort. But then when I tried to install wien2k 11.1 version or less, it shows 27 errors in various steps of lapw and others. Is there any specific reason why th

[Wien] compilation problem for the installation of wien2k

2012-02-07 Thread Ramkumar Thapa
Dear MPG, We will start with Dibya's i5 machine. I will get back to you with suggestions later ok. Prof.R.K.Thapa Mizoram University Aizawl INDIA === 2012/2/7 Madhav Ghimire > Dear Wien users, > I have installed centos 6 in my pc and successfully installed the fortran > compiler as

[Wien] compilation problem for the installation of wien2k

2012-02-06 Thread Laurence Marks
Please read the file compile.msg for the specifics of the errors. I expect that you have not specified the mkl libraries correctly. Please check the mailing list, particularly the Intel linking guide page. Note, if you do not provide more information, nobody can help you. Also, you should try and

[Wien] Compilation problem of lapw0_mpi(fftw)

2010-10-26 Thread Hiroki Takahashi
Dear Maxim Rakitin, Thank you for your nice advice. I compiled fftw again according to your option, then compilation of WIEN was successfully completed. Regards --- Hiroki Takahashi hiroki_takahashi at mitsui-kinzoku.co.jp Mitsui Mining & Smelting Co., Ltd. --

[Wien] Compilation problem of lapw0_mpi(fftw)

2010-10-26 Thread Hiroki Takahashi
Dear WIEN2k Users, I am trying to install WIEN2k_10.1 on a cluster computer. But I got an error in compiling lapw0_mpi. The error message is : - mpif90 -FR -w -mp1 -prec_div -pad -ip -DINTEL_VML -O3 -xP -DParallel -c W2kinit.F mpif90 -o lapw0_mpi cputim.o modules.o reallocat

[Wien] Compilation problem of lapw0_mpi(fftw)

2010-10-26 Thread Maxim Rakitin
Dear Hiroki Takahashi, Have you performed configure/make/make install with ifort compiler? It seems that you don't have appropriate libraries after installation of the fftw suite. I used the following command to configure it: ./configure --prefix=$HOME/lib/fftw2 LDFLAGS=-L/share/mpi/mvapich/lib

[Wien] Compilation problem

2010-05-11 Thread Gerhard Fecher
meka Okoye Chukwuemeka M I Okoye Department of Physics and Astronomy, University of Nigeria, Nsukka. Enugu State, NIGERIA. Phone: +234-7038766990 +234-8053310658 E-mail: okoyecmi at yahoo.com --- On Mon, 5/10/10, Gerhard Fecher wrote: From: Gerhard Fecher Subject: Re: [Wien] Compilation prob

[Wien] Compilation problem

2010-05-10 Thread Gerhard Fecher
wien.ac.at Betreff: [Wien] Compilation problem Dear Wien users, I am compiling Wien2k v9.2 on Mandriva 10.1 32-bit iso using Intel Compiler 11.1. My current settings are: O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback L Linker Flags: $(FOPT) -L/opt/intel/Com

[Wien] Compilation problem

2010-05-10 Thread Chukwuemeka Okoye
Dear Wien users, I am compiling? Wien2k v9.2 on Mandriva 10.1 32-bit iso using?Intel Compiler 11.1. ? My current settings are:? O Compiler options: -FR -mp1 -w -prec_div -pc80 -pad -align -DINTEL_VML -traceback L Linker Flags: $(FOPT) -L/opt/intel/Compiler/11.1/069/mkl/lib/32 -pthread -i-static

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-18 Thread Roberto Iglesias
__ >Von: wien-bounces at zeus.theochem.tuwien.ac.at >[wien-bounces at zeus.theochem.tuwien.ac.at] im >Auftrag von Roberto Iglesias [roberto at uniovi.es] >Gesendet: Donnerstag, 17. Dezember 2009 19:35 >An: A Mailing list for WIEN2k users >Betreff: Re: [Wien] Compilation problem

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-18 Thread Gerhard Fecher
at uniovi.es] Gesendet: Donnerstag, 17. Dezember 2009 19:35 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu Dear Gerhard and Roger, dear all Before attempting to go back to the 11.0 compiler, I tried as Gerhard suggested and follow the

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-17 Thread Roberto Iglesias
n.ac.at >[wien-bounces at zeus.theochem.tuwien.ac.at] im >Auftrag von Roger E. Rink [rrink at ameslab.gov] >Gesendet: Donnerstag, 17. Dezember 2009 14:17 >An: A Mailing list for WIEN2k users >Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu > >All I can rec

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-17 Thread Gerhard Fecher
ameslab.gov] Gesendet: Donnerstag, 17. Dezember 2009 14:17 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Compilation problem latest ifort/mkl/Ubuntu All I can recommend is to go back to an 11.0 intel compiler. I've spent several weeks trying to get the 11.1 to work with no luck. Your pro

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-17 Thread Gerhard Fecher
at uniovi.es] Gesendet: Donnerstag, 17. Dezember 2009 11:15 An: WIEN2k Mailing List Betreff: [Wien] Compilation problem latest ifort/mkl/Ubuntu Dear all I am trying to install Wien2k_09.2 on an Intel (R) Core(TM)2 QUAD Q9300 @2.50 GHz computer taht runs Ubuntu 9.10, using ifort 11.1.059 and mkl

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-17 Thread ROBERTO LUIS IGLESIAS PASTRANA
Dear all I am trying to install Wien2k_09.2 on an Intel (R) Core(TM)2 QUAD Q9300 @2.50 GHz computer taht runs Ubuntu 9.10, using ifort 11.1.059 and mkl 10.2.2.025 libraries. I followed mainly Gerhard Fecher's guide (http://www.ghfecher.de/html/bandstructure.html). I added the path to the libr

[Wien] Compilation problem latest ifort/mkl/Ubuntu

2009-12-17 Thread Roger E. Rink
All I can recommend is to go back to an 11.0 intel compiler. I've spent several weeks trying to get the 11.1 to work with no luck. Your problems sound similar to the ones I was having (not finding the library) and the only fix was to backstep. This was with a Red Hat Enterprise Linux 64bit i

[Wien] compilation problem of wien2k

2008-01-02 Thread Gerhard Fecher
erjee [aruna_c at vsnl.net] Gesendet: Dienstag, 1. Januar 2008 07:03 An: wien at zeus.theochem.tuwien.ac.at; m_kanoun at mail.univ-tlemcen.dz Betreff: [Wien] compilation problem of wien2k Dear wien2k users, Wishing everybody a very happy new year 2008. I am a rather new wien2k user of version 03.

[Wien] compilation problem of wien2k

2008-01-01 Thread Arun Kr. Chatterjee
Dear wien2k users, Wishing everybody a very happy new year 2008. I am a rather new wien2k user of version 03. I am working with a machine which has intel pentium 4 as processor, intel fortran 90 compiler - ifort and on redhat linux platform. Used options are : -FR -w -mp1 -prec_div -pad -ipo -i