[Wien] Workstation

2016-03-27 Thread Mohammed Abujafar
Dear Developers and users,Hi! I am concerning about purchasing a workstation with 64 cpu and 64 GB RAM if it is available which is compatible to WEIN2k. Otherwise, please suggest to me what kind of workstation is the best for doing calculations up to 100 atoms.My university is now ready to fund

Re: [Wien] Workstation

2016-03-27 Thread Gavin Abo
You may refer to the following links, where it is suggested for calculations perhaps up to 100 atoms per cell to have at least a Gb router (or a Gb switch) and a few computers that have an Intel i7 quad-core processor, 2 GB of RAM per core, a Gb network card, and a hard disk drive with

[Wien] Non-commercial Intel fortran

2016-03-27 Thread delamora
Hi, in reference to the intel fortran If you visit the page http://www.wien2k.at/hard+soft/index.html You will see; Computer requirements Install the Intel ifort compiler + Intels mkl-libarary (there is a free non-commercial version at www.intel.com) But as far as I know this is no

Re: [Wien] Non-commercial Intel fortran

2016-03-27 Thread Gavin Abo
Intel discontinued it for short while [ http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11841.html ], but it is sort of offering it again. It used to be available for any non-commercial use. However, the licensing is more restrictive now. It is now only available for

[Wien] error

2016-03-27 Thread bhat tahir
dear sir, when i tried to calculate the c/a ratio at constant vol.there seems an error no energy limits found for atom?? 1? L= 1? ?'SELECT' - E-bottom?? -3.72923?? E-top -200.0? ___ Wien mailing list