Re: [Wien] [please pay attention] query for mpi job file

2017-01-19 Thread Dr. K. C. Bhamu
Thank you very much Prof. Lyudmila Please see my updated reduced query. > I do not use mpi, only simple parallelization over k-points, so I will > answer only some of your questions. > > (1) is it ok with mpiifort or mpicc or it should have mpifort or > mpicc?? > > I do not know and I even

Re: [Wien] How to use the LIBXC library?

2017-01-19 Thread Abderrahmane Reggad
You have right Dr gavin When I have opened the link in another web browser I could get the new version of userguide.I get the same version after I have delete the cash data. Thanks Best regards -- Mr: A.Reggad Laboratoire de Génie Physique Université Ibn Khaldoun - Tiaret Adresse: BP 144 AL

Re: [Wien] regarding patch for mixer.F

2017-01-19 Thread Laurence Marks
Dictionary definition of Warning from Dictionary.com: "something that serves to warn, give notice, or caution" You do not have an error, the code is correctly warning you of something you should pay attention to. Probably you did not delete the old case.broyd* files. You should not change the

Re: [Wien] regarding patch for mixer.F

2017-01-19 Thread Dr. K. C. Bhamu
Dear Prof. Marks Thank you very much for quick response. I am getting these warnings even I start the job in new directory. Also, I did not do any changes for this patch. I was looking for cause of warning and I found all these three links and I only mentioned in email, I am quite sure that

[Wien] regarding patch for mixer.F

2017-01-19 Thread Dr. K. C. Bhamu
Dear Prof. Peter and Gavin, While 2Doptimization, I am getting below warnings: 1. :WARNING: K-list has changed this warning is mentioned at line number 1021 in mixer.F and 2. write(21,*)':WARNING: Density Matrix or Orbital Potential has changed (598) To fix these two warnings, I found