Re: [Wien] Problem with testpara

Thank you very much 2017-02-21 19:00 GMT+01:00 Wien2k User : > Thank you very much for your answer > > > I used this configuration because the nodes do not have the same > performance (one machine faster than another) > > I copied lapwpara and it works very well but I would be grateful if you > c

Re: [Wien] Problem with testpara

Just add the line balance: somewhere to .machines. Am 21.02.2017 um 19:00 schrieb Wien2k User: Thank you very much for your answer I used this configuration because the nodes do not have the same performance (one machine faster than another) I copied lapwpara and it works very well but I w

Re: [Wien] Problem with testpara

Thank you very much for your answer I used this configuration because the nodes do not have the same performance (one machine faster than another) I copied lapwpara and it works very well but I would be grateful if you could explain to me how to use 'balance' with the new file lapwpara 2017-02-

Re: [Wien] Problem with testpara

Ups ! I forgot (because it is not documented !): put the keyword balance: into your .machines file. It should then work as before. On 02/20/2017 01:28 AM, Wien2k User wrote: Dear Prof P.Blaha, I launched a calculation with 126 k-point under a cluster but when I run the testpara_lapw with wie

Re: [Wien] Problem with testpara

The parallelization strategy has been changed in wien2k_16, so that k-points are all distributed at once and with this fixed distribution the use of $SCRATCH is always possible. If you can explain to me, WHY you would like to have such a distribution on a cluster, I may look into it. But other

Re: [Wien] Problem with testpara

Thank you very much for your answer I tried this change but it gives the same thing (no change is made) but with wien2k_14 it changes and it does not give the same thing relatively to version 16. 2017-02-21 14:39 GMT+01:00 Wien2k User : > Dear Wien2k users, > > I am still waiting for an answer f

Re: [Wien] Problem with testpara

Edit the .machines file to whatever you want, e.g. 8:machine-1 3:machine-2 3:machine-3 Repeated as appropriate. --- Professor Laurence Marks "Research is to see what everybody else has seen, and to think what nobody else has thought", Albert Szent-Gyorgi http://www.numis.northwestern.edu Corrosio

Re: [Wien] Problem with testpara

Dear Wien2k users, I am still waiting for an answer from Prof P.Blaha or Wien2k users. 2017-02-20 1:28 GMT+01:00 Wien2k User : > Dear Prof P.Blaha, > > I launched a calculation with 126 k-point under a cluster but when I run > the testpara_lapw with wien2k_16 and wien2k_14 with the same machine

[Wien] Problem with testpara

Dear Prof P.Blaha, I launched a calculation with 126 k-point under a cluster but when I run the testpara_lapw with wien2k_16 and wien2k_14 with the same machine file below, the first version attribute 6 k-point for each thread of machine-1 and 5 k-point for machine-2 and machine-3 but version 14 a

Re: [Wien] problem with testpara

For example, you can create an empty file with your favorite text editor (gedit, vi, etc.). Copy and paste the lines 2nd 'next part' lines: 60c60 < if (-e $case.in1c && -s $case.in1c ) set cmplx = c --- > if ((-e $case.in1c) && !(-z $case.in1c) ) set cmplx = c then save the file as "testpara1_

Re: [Wien] problem with testpara

I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h38, berber mo a écrit : I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h35, berber mo a écrit : I use WIEN2k12 please tel me how to ceate a patch ? Le Samedi 16 nove

Re: [Wien] problem with testpara

I use WIEN2k12 please tel me how to create a patch ? Le Mardi 19 novembre 2013 23h35, berber mo a écrit : I use WIEN2k12 please tel me how to ceate a patch ? Le Samedi 16 novembre 2013 22h33, Gavin Abo a écrit : What Wien2k version are you using? There is a patch for a version 12 bug

Re: [Wien] problem with testpara

I use WIEN2k12 please tel me how to ceate a patch ? Le Samedi 16 novembre 2013 22h33, Gavin Abo a écrit : What Wien2k version are you using? There is a patch for a version 12 bug at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07630.html On 11/16/2013 1:52 PM, berber mo

Re: [Wien] problem with testpara

What Wien2k version are you using? There is a patch for a version 12 bug at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07630.html On 11/16/2013 1:52 PM, berber mo wrote: dear all I have this problem with testpara: K-Vectors must be read from unit 4 for parallel exec

[Wien] problem with testpara

dear all I have this problem with testpara: K-Vectors must be read from unit 4 for parallel execution! Change setting in case.in1! please help me best regards___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/