[Pw_forum] running in parallel

2005-11-24 Thread Jaita Paul
hi. when i try to run my job (pw.x) in parallel, the job gets killed with the followin error msg: %% from davcio : error #10 i/o error in davcio

[Pw_forum] xcrysden-cannot open pwscf output file

2005-09-09 Thread Jaita Paul
hello everyone. when i try to open a pwscf output file to see the optimized structure i get the following error msgs: error while executing "pwo2xsf.sh" program the error info: /home/jaita/XCrySDen-B1.0bin-static/scripts/pwo2xsf.sh: line 1: bc: command not found /home/jaita/XCrySDen-B1.0bin-sta

[Pw_forum] file size limit exceeded

2005-03-28 Thread Jaita Paul
Hi. while running a code (pw.x) it stopped giving the following message: [1]+ File size limit exceedednohup ../../bin/pw.x on checking the tmp directory i found the size of the wavefuntion file to be ~ 2GB. so if i am to run programs which requires such disk space how am i to do it? i'm runnin

[Pw_forum] pw.x(relax calculation)

2005-03-14 Thread Jaita Paul
hi everyone, i was running 'relax' calculations and it was in the 'restart' mode when in the first set of electronic iterations it came up with the following: iteration # 15 ecut=20.00 ryd beta=0.10 Davidson diagonalization (with overlap) ethr = 2.89E-07, avg # of ite