Re: [Wien] error in running .machines file

2018-06-28 Thread Peter Blaha
At least on our SLURM system, mpirun is not supported and you have to use srun instead. In siteconfig, there is even an option "ifort + slurm"; why not trying to use these defaults ? Am 29.06.2018 um 00:23 schrieb venkatesh chandragiri: Dear Wien2k users, I have forwarded the suggestions

Re: [Wien] error in running .machines file

2018-06-28 Thread Gavin Abo
[renwei@ln3%th2 ~]$ which mpirun /usr/local/mpi3/bin/mpirun *31 mpirun: Command not found.* Similar to the "manpath: command not found" and "libmpi.so.12 => not found" errors that you say are gone now, the mpirun seems to be installed okay on one of the nodes but it seems like it is not

Re: [Wien] error in running .machines file

2018-06-28 Thread Laurence Marks
You will need to talk more to your sysadmin (maybe show this email). The simple one is the line *31 mpirun: Command not found.* This means what it says -- mpirun is not in your PATH and/or some other command is needed. This is being set in $WIENROOT/mpirun. The other one *32 setrlimit():

Re: [Wien] error in running .machines file

2018-06-28 Thread venkatesh chandragiri
Dear Wien2k users, I have forwarded the suggestions given by Prof. Gavin as well as Prof. Marks to the cluster administrator and now it seems that those earlier errors was rectified. However, there are still more errors coming out when I am submitting my job into SLURM based queuing process and

Re: [Wien] error in running .machines file

2018-06-16 Thread Gavin Abo
The "ssh cn308 ldd $WIENROOT/lapw0_mpi" is finding files for your ifort installation like /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64/libmkl_scalapack_lp64.so just fine.  So your environmental variables seem to be setup and working fine on both nodes.  It looks like the

Re: [Wien] error in running .machines file

2018-06-16 Thread venkatesh chandragiri
Dear Prof. Marks, I did "ssh othernode ldd $WIENROOT/lapw0_mpi". = [renwei@ln3 ~]$ ssh cn308 ldd $WIENROOT/lapw0_mpi /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh: line 118: manpath: command not found linux-vdso.so.1 => (0x7fffd8fff000)

Re: [Wien] error in running .machines file

2018-06-16 Thread Peter Blaha
cd $WIENROOT edit parallele_options and setUSE_REMOTE and MPI_REMOTE to zero. Then there is no ssh anymore. (But you can use only one node for k-parallel) Regards Am 16.06.2018 um 12:02 schrieb venkatesh chandragiri: Dear Prof. Gavin, I am using slurm based environment for running the

Re: [Wien] error in running .machines file

2018-06-16 Thread venkatesh chandragiri
Dear Prof. Gavin, I am using slurm based environment for running the jobs. I have attached the typical script I made to submit the job. Although, I kept export & source of LD_LIBRARY_PATH and path to the compilervars.sh, I have also source them again by keeping them in separate "myenev" file.

Re: [Wien] error in running .machines file

2018-06-15 Thread Laurence Marks
Gavin has already answered in large part, but let me add a little. You have two questions/issues which are probably unrelated: *** 1) Is my ssh working? I suggest that you test this by itself, for instance by running "ssh othernode" from your head node, and also execute some simple commands that

Re: [Wien] error in running .machines file

2018-06-15 Thread Gavin Abo
As pointed in my mail I kept all the variable paths to bashrc file as well as in the jobscript file. You didn't mention you were using a job script.  I assumed you weren't.  That may be important.  Some queue systems require a flag in the job script to export the environmental variables

Re: [Wien] error in running .machines file

2018-06-15 Thread venkatesh chandragiri
Dear Prof. Laurence Marks, thanks for your reply. As pointed in my mail I kept all the variable paths to bashrc file as well as in the jobscript file. Also I did the "ldd lapw1c_mpi" the output is == [renwei@ln3 ~/venky/soft/wien2k]$ ldd lapw1c_mpi linux-vdso.so.1 =>

Re: [Wien] error in running .machines file

2018-06-14 Thread Laurence Marks
If I understand you email correctly, the lines "/THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared libraries: libmpifort.so.12: cannot open shared object file: No such file or directory /THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared libraries:

Re: [Wien] error in running .machines file

2018-06-14 Thread venkatesh chandragiri
Dear wien2k users, I forgot to mention in my earlier mail that I have already have .ssh folder in the server where wien2k installed and already copied the key in the id_rsa.pub file to authorized_keys file . But I don't know why the second error (when I used .machines file without lapw0 line)