[Wien] Intel compilers

2021-07-16 Thread delamora
Dear WIEN community; Are there free intel compilers for academic use? Thanks Pablo ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi

Re: [Wien] Intel compilers

2021-07-16 Thread Gavin Abo
The Intel compilers (e.g., C++ and Fortran) currently seem to be free for everyone with oneAPI without Priority Support from Intel as seen at: https://software.intel.com/content/www/us/en/develop/articles/free-intel-software-developer-tools.html If you need the Priority Support from Intel, you

Re: [Wien] Intel compilers

2021-07-16 Thread Laurence Marks
Note: this is for the US, probably not for every country. --- Prof Laurence Marks "Research is to see what everyone else has seen, and to think what nobody else has thought", Albert Szent-Györgyi www.numis.northwestern.edu On Fri, Jul 16, 2021, 20:24 Gavin Abo wrote: > The Intel compilers (e.g.

Re: [Wien] Intel compilers

2021-07-16 Thread delamora
oneAPI there was the Parallel Studio that took a lot of memory in the computer. Saludos Pablo De: Wien en nombre de Laurence Marks Enviado: viernes, 16 de julio de 2021 08:28 p. m. Para: A Mailing list for WIEN2k users Asunto: Re: [Wien] Intel compilers Note

Re: [Wien] Intel compilers

2021-07-16 Thread Gavin Abo
Pablo *De:* Wien en nombre de Laurence Marks *Enviado:* viernes, 16 de julio de 2021 08:28 p. m. *Para:* A Mailing list for WIEN2k users *Asunto:* Re: [Wien] Intel compilers Note: this is for the US, probably not for every country. ---

Re: [Wien] Intel compilers

2021-07-16 Thread Laurence Marks
in the computer. > > Saludos > > Pablo > > -- > *De:* Wien en nombre de > Laurence Marks > *Enviado:* viernes, 16 de julio de 2021 08:28 p. m. > *Para:* A Mailing list for WIEN2k users > *Asunto:* Re: [Wien] Intel compilers > > Note: this is for the US, probably no

Re: [Wien] Intel compilers

2021-07-17 Thread Fecher, Gerhard
Juli 2021 04:06 An: A Mailing list for WIEN2k users Betreff: Re: [Wien] Intel compilers You want the fortran compiler & mkl. If you have multiple computers you need the parallel libraries. C is optional, nothing in Wien2k really needs it (gcc is fine). Sounds like you also need more disk! H

Re: [Wien] Intel compilers

2021-07-17 Thread delamora
Asunto: Re: [Wien] Intel compilers I have been using gfortran recently. So I don't know about oneAPI as I have never used it. According to [2] that was in the previous email, the oneAPI Base Toolkit would be needed for MKL and the oneAPI HPC toolkit would be needed for the C++ and Fo

Re: [Wien] Intel compilers

2021-07-18 Thread Gavin Abo
bo *Enviado:* viernes, 16 de julio de 2021 09:06 p. m. *Para:* wien@zeus.theochem.tuwien.ac.at *Asunto:* Re: [Wien] Intel compilers I have been using gfortran recently.  So I don't know about oneAPI as I have never used it.  According to [2] that was in the previous email, the oneAPI B

[Wien] Intel compilers and MPI

2016-10-31 Thread Luis Ogando
Dear Wien2k community, A quick question: to compile and run Wien2k, do I need only the Intel Fortran and C compilers with MKL (Composer Edition) plus Intel MPI or do I have to buy the licence for the complete "cluster edition" ( https://software.intel.com/en-us/intel-parallel-studio-xe ) ?

[Wien] Intel compilers and MPI versions

2017-11-22 Thread Luis Ogando
Dear Wien2k community, Greetings ! Is there a recommended version of the Intel compilers and MPI to use with Wien2k ? Thank you ! Best wishes, Luis ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.

Re: [Wien] Intel compilers and MPI

2016-10-31 Thread Laurence Marks
The intel ifort + mkl for k-point parallel. Scalapack for mpi (check if it is in the package you are looking at) Intel mpi is good, but openmpi and mvapich as also good. I currently prefer the intelmpi. The intel C compiler is not critical (gcc should be fine). If it comes with, use it. I would not

Re: [Wien] Intel compilers and MPI

2016-10-31 Thread Luis Ogando
Dear Prof Marks, Thank you very much for your help. All the best, Luis 2016-10-31 16:27 GMT-02:00 Laurence Marks : > The intel ifort + mkl for k-point parallel. > Scalapack for mpi (check if it is in the package you are looking at) > Intel mpi is good, but openmpi and mvapic

Re: [Wien] Intel compilers and MPI versions

2017-11-22 Thread delamora
: [Wien] Intel compilers and MPI versions Dear Wien2k community, Greetings ! Is there a recommended version of the Intel compilers and MPI to use with Wien2k ? Thank you ! Best wishes, Luis ___ Wien mailing list Wien

Re: [Wien] Intel compilers and MPI versions

2017-11-22 Thread Luis Ogando
Cl U2 > > Pablo > -- > *De:* Wien en nombre de Luis > Ogando > *Enviado:* miércoles, 22 de noviembre de 2017 05:02:54 a. m. > *Para:* A Mailing list for WIEN2k users > *Asunto:* [Wien] Intel compilers and MPI versions > > Dear Wien2k community, > >

Re: [Wien] Intel compilers and MPI versions

2017-11-22 Thread Gavin Abo
coles, 22 de noviembre de 2017 05:02:54 a. m. *Para:* A Mailing list for WIEN2k users *Asunto:* [Wien] Intel compilers and MPI versions Dear Wien2k community,    Greetings !    Is there a recommended version of the Intel compilers and MPI to use with Wien2k ?

Re: [Wien] Intel compilers and MPI versions

2017-11-23 Thread Luis Ogando
version. >Thank you again, > Luis > > 2017-11-22 15:07 GMT-02:00 delamora : > >> Estimado Luis, >> You need a recent compiler for the WIEN2k 17.1 >> As researcher you can get a free licence >> >> NaCl U2 >> >> Pablo >> -- &g