Re: [Wien] error in x spaghetti for parallel computing
Dear Prof blaha and all my problem is now resolved. Thanks *Dr. K. C. Bhamu(UGC-Dr. D. S. Kothari Postdoc Fellow)Department of PhysicsGoa University, Goa-403 206IndiaMob. No. +91-9975238952* On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu wrote: > Dear Wien2k Prof Blaha and Gavin > > I ran my job on remote server using two nodes (64 cores). > > Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error). > > I inserted :FER into case.insp > > Then I ran x spaghetti and the following error occured: > > > ERROR IN OPENING UNIT: 7 > FILENAME: > orthorhombic_1.output1 > STATUS: old FORM:formatted > OPEN FAILED > 0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w > -- > > I checked the DIR but there was no case.output1 file while case.output2 was > present. > > What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 > -band -p, 3. x lapw2 -band -p -qtl. > > Should I have to bind the job in case.output1 file? If yes please suggest any > command. > *** > > > > Yours > > truly > > Bhamu > > > > > > > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] error in x spaghetti for parallel computing
When you do a parallel calculation you have to add-p to spaghetti x spaghetti -p - I guess the problem for lapw2 occurred when you resubmitted another batch job (without x lapw1 -p -band). This is clear, because only the lapw1 step creates suitable .machine* and .processes files, which are needed in lapw2 and they have to be compatible with the node-list of the current batch job. Simply insert into your job script: x lapw1 -p -d before thex lapw2 step. On 02/17/2016 09:23 AM, Dr. K. C. Bhamu wrote: One more thing: When I checked the output file of x lapw2 -band then I got the following massage: running lapw2 in parallel mode calculating QTL's from parallel vectors ssh: connect to host nid01520 port: Connection refused^M lines are repeatitativelly written here for around 50times for this node ssh: connect to host nid01521 port: Connection refused^M lines are repeatitativelly written here for around 50 times for this node LAPW2 END 490.570u 24.737s 11.05.91 77.3% 0+0k 79259539+1284375io 8pf+0w Sincerely Bhamu * * On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu mailto:kcbham...@gmail.com>> wrote: Dear Wien2k Prof Blaha and Gavin I ran my job on remote server using two nodes (64 cores). Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error). I inserted :FER into case.insp Then I ran x spaghetti and the following error occured: ERROR IN OPENING UNIT: 7 FILENAME: orthorhombic_1.output1 STATUS: old FORM:formatted OPEN FAILED 0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w -- I checked the DIR but there was no case.output1 file while case.output2 was present. What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 -band -p, 3. x lapw2 -band -p -qtl. Should I have to bind the job in case.output1 file? If yes please suggest any command. *** Yours truly Bhamu ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html -- P.Blaha -- Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-1-58801-165300 FAX: +43-1-58801-165982 Email: bl...@theochem.tuwien.ac.atWIEN2k: http://www.wien2k.at WWW: http://www.imc.tuwien.ac.at/staff/tc_group_e.php -- ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] error in x spaghetti for parallel computing
One more thing: When I checked the output file of x lapw2 -band then I got the following massage: running lapw2 in parallel mode calculating QTL's from parallel vectors ssh: connect to host nid01520 port: Connection refused^M lines are repeatitativelly written here for around 50times for this node ssh: connect to host nid01521 port: Connection refused^M lines are repeatitativelly written here for around 50 times for this node LAPW2 END 490.570u 24.737s 11.05.91 77.3% 0+0k 79259539+1284375io 8pf+0w Sincerely Bhamu On Wed, Feb 17, 2016 at 1:45 PM, Dr. K. C. Bhamu wrote: > Dear Wien2k Prof Blaha and Gavin > > I ran my job on remote server using two nodes (64 cores). > > Everything went fine till" x lapw2 -p -band -qtl (checked with cat *.error). > > I inserted :FER into case.insp > > Then I ran x spaghetti and the following error occured: > > > ERROR IN OPENING UNIT: 7 > FILENAME: > orthorhombic_1.output1 > STATUS: old FORM:formatted > OPEN FAILED > 0.0u 0.0s 0:00.08 0.0% 0+0k 2008+0io 10pf+0w > -- > > I checked the DIR but there was no case.output1 file while case.output2 was > present. > > What may be the error? I submitted the job trice: 1. for scf, 2. x lapw1 > -band -p, 3. x lapw2 -band -p -qtl. > > Should I have to bind the job in case.output1 file? If yes please suggest any > command. > *** > > > > Yours > > truly > > Bhamu > > > > > > > > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
