[Pw_forum] The iotk error occurrd in ph.x
Dear Axel, thank you very much. I will try ifort+mpich2 in my own directory, hoping it works and the newest ifort 12 can work in Fedora 7. -- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-02-08 22:12:02,"Axel Kohlmeyer" wrote: >2012/2/8 GAO Zhe : >> Dear QE developer and users >> I am using an old cluster for calculation, where mpich2 1.2.1 was compiled >> by gortran 4.1.2 in Fedora 7 x86_64. >> The pw.x calculations were fine, but when I was executing ph.x, the iotk >> error occurred (no matter multi-nodes or single-core, this error occurred as >> soon as the input file read by ph.x) : >> # FROM IOTK LIBRARY, VERSION 1.2.0 >> # UNRECOVERABLE ERROR (ierr=1) >> # ERROR IN: iotk_scan_end (iotk_scan.f90:241) >> # CVS Revision: 1.23 >> # foundl >> # ERROR IN: iotk_close_read (iotk_files.f90:746) >> # CVS Revision: 1.20 >> As I known, such a problem is due to the bug of compiler, i.e., gfortran >> 4.1.2. However, since I just have the normal user authority in this cluster, >> I cannot upgrade gfortran or install other fortran compiler. Even mpich2 was >> installed in /usr, so I cannot re-compile it. > >yes, you can compile and install both the GCC compilers >(including gfortran) and the MPI library without superuser >privilege and override the system defaults. it just takes >some effort and requires reading of the corresponding >documentation. i have done both many times on very >different machines without having root access. > >axel. > > >> In such a case, do I have to give up the phonon calculaitons in this cluster >> ? >> >> -- >> GAO Zhe >> CMC Lab, Materials Science & Engineering Department, >> Seoul National University, South Korea >> >> >> >> >> ___ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > >-- >Dr. Axel Kohlmeyer >akohlmey at gmail.com http://goo.gl/1wk0 > >College of Science and Technology >Temple University, Philadelphia PA, USA. -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120209/d413b127/attachment.htm
[Pw_forum] The iotk error occurrd in ph.x
Dear QE developer and users I am using an old cluster for calculation, where mpich2 1.2.1 was compiled by gortran 4.1.2 in Fedora 7 x86_64. The pw.x calculations were fine, but when I was executing ph.x, the iotk error occurred (no matter multi-nodes or single-core, this error occurred as soon as the input file read by ph.x) : # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=1) # ERROR IN: iotk_scan_end (iotk_scan.f90:241) # CVS Revision: 1.23 # foundl # ERROR IN: iotk_close_read (iotk_files.f90:746) # CVS Revision: 1.20 As I known, such a problem is due to the bug of compiler, i.e., gfortran 4.1.2. However, since I just have the normal user authority in this cluster, I cannot upgrade gfortran or install other fortran compiler. Even mpich2 was installed in /usr, so I cannot re-compile it. In such a case, do I have to give up the phonon calculaitons in this cluster ? -- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120208/37513e5d/attachment.htm
[Pw_forum] The iotk error occurrd in ph.x
2012/2/8 GAO Zhe : > Dear QE developer and users > I am using an old cluster for calculation, where mpich2 1.2.1 was compiled > by gortran 4.1.2 in Fedora 7 x86_64. > The pw.x calculations were fine, but when I was executing ph.x, the iotk > error occurred (no matter multi-nodes or single-core, this error occurred as > soon as the input file read by ph.x) : > # FROM IOTK LIBRARY, VERSION 1.2.0 > # UNRECOVERABLE ERROR (ierr=1) > # ERROR IN: iotk_scan_end (iotk_scan.f90:241) > # CVS Revision: 1.23 > # foundl > # ERROR IN: iotk_close_read (iotk_files.f90:746) > # CVS Revision: 1.20 > As I known, such a problem is due to the bug of compiler, i.e., gfortran > 4.1.2. However, since I just have the normal user authority in this cluster, > I cannot upgrade gfortran or install other fortran compiler. Even mpich2 was > installed in /usr, so I cannot re-compile it. yes, you can compile and install both the GCC compilers (including gfortran) and the MPI library without superuser privilege and override the system defaults. it just takes some effort and requires reading of the corresponding documentation. i have done both many times on very different machines without having root access. axel. > In such a case, do I have to give up the phonon calculaitons in this cluster > ? > > -- > GAO Zhe > CMC Lab, Materials Science & Engineering Department, > Seoul National University, South Korea > > > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Dr. Axel Kohlmeyer akohlmey at gmail.com ?http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
