<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt">Hai<br><br>I have a problem in running parallel pw.x<br>my hardware is amd64 bit dual core with 8 node and master. my job is running in serial but not running in parallel. i tried several options as described in user manual. can any help me in this regard.<br><br>my input is as follows.<br><br> &CONTROL<br> calculation = "relax",<br> pseudo_dir = "/opt/Apps/PWscf-4.0.1/pseudo",<br> title = "TiO2-supercell at 500ev",<br> verbosity = "high",<br> outdir = "/tmp",<br> wfcdir = "/tmp",<br> nstep = 300,<br> restart_mode = "from_scratch",<br> disk_io =
"high",<br> etot_conv_thr = 1.0D-5,<br> forc_conv_thr = 1.0D-4, <br>/<br> &SYSTEM<br> ibrav = 14,<br> A = 10.2395,<br> B = 11.3526,<br> C = 20.8588,<br> cosAB = 0,<br> cosAC = 0,<br> cosBC = 0, <br> nat = 72,<br> ntyp = 2,<br> ecutwfc = 25,<br> /<br> &ELECTRONS<br> electron_maxstep = 500,<br> diago_david_ndim = 6, <br> conv_thr = 1.0D-7,<br>/<br> &IONS<br> ion_dynamics = 'bfgs',<br>/<br>ATOMIC_SPECIES<br> O 16.000 O.pw91-van_ak.UPF <br> Ti 47.862 Ti.pw91-nsp-van.UPF<br>ATOMIC_POSITIONS angstrom <br> Ti 7.80260139 0.00000000 0.73172670 0 0 0<br> Ti 7.80260139 3.78420000 0.73172670 0 0 0<br> Ti 7.80260139
7.56840000 0.73172670 0 0 0<br> Ti 9.20111230 0.00000000 4.24810321 1 1 1<br> Ti 9.20111230 3.78420000 4.24810321 1 1 1<br> Ti 9.20111230 7.56840000 4.24810321 1 1 1<br> Ti 2.68285140 1.89210000 0.73172670 0 0 0<br> Ti 2.68285140 5.67630000 0.73172670 0 0 0<br> Ti 2.68285140 9.46050000 0.73172670 0 0 0<br> Ti 4.08136231 1.89210000 4.24810321 1 1 1<br> Ti 4.08136231 5.67630000 4.24810321 1 1 1<br> Ti 4.08136231
9.46050000 4.24810321 1 1 1<br> Ti 5.59240532 1.89210000 1.61071654 0 0 0<br> Ti 5.59240532 5.67630000 1.61071654 0 0 0<br> Ti 5.59240532 9.46050000 1.61071654 0 0 0<br> Ti 6.99091623 1.89210000 5.12709304 1 1 1<br> Ti 6.99091623 5.67630000 5.12709304 1 1 1<br> Ti 6.99091623 9.46050000 5.12709304 1 1 1<br> Ti 0.47265532 0.00000000 1.61071654 0 0 0<br> Ti 0.47265532 3.78420000 1.61071654 0 0 0<br> Ti 0.47265532
7.56840000 1.61071654 0 0 0<br> Ti 1.87116623 0.00000000 5.12709304 1 1 1<br> Ti 1.87116623 3.78420000 5.12709304 1 1 1<br> Ti 1.87116623 7.56840000 5.12709304 1 1 1<br> O 5.96276803 0.00000000 1.46345341 0 0 0<br> O 5.96276803 3.78420000 1.46345341 0 0 0<br> O 5.96276803 7.56840000 1.46345341 0 0 0<br> O 7.36127895 0.00000000 4.97982991 1 1 1<br> O 7.36127895 3.78420000 4.97982991 1 1 1<br> O
7.36127895 7.56840000 4.97982991 1 1 1<br> O 0.84301804 1.89210000 1.46345341 0 0 0<br> O 0.84301804 5.67630000 1.46345341 0 0 0<br> O 0.84301804 9.46050000 1.46345341 0 0 0<br> O 2.24152895 1.89210000 4.97982991 1 1 1<br> O 2.24152895 5.67630000 4.97982991 1 1 1<br> O 2.24152895 9.46050000 4.97982991 1 1 1<br> O 3.75257196 1.89210000 2.34265183 0 0 0<br> O 3.75257196 5.67630000 2.34265183 0 0
0<br> O 3.75257196 9.46050000 2.34265183 0 0 0<br> O 5.15108287 1.89210000 5.85881974 1 1 1<br> O 5.15108287 5.67630000 5.85881974 1 1 1<br> O 5.15108287 9.46050000 5.85881974 1 1 1<br> O 8.87232196 0.00000000 2.34265183 0 0 0<br> O 8.87232196 3.78420000 2.34265183 0 0 0<br> O 8.87232196 7.56840000 2.34265183 0 0 0<br> O 0.03133287 0.00000000 5.85881974 1 1 1<br> O 0.03133287
3.78420000 5.85881974 1 1 1<br> O 0.03133287 7.56840000 5.85881974 1 1 1<br> O 2.31238629 0.00000000 0.87898983 0 0 0<br> O 2.31238629 3.78420000 0.87898983 0 0 0<br> O 2.31238629 7.56840000 0.87898983 0 0 0<br> O 3.71099959 0.00000000 4.39536634 1 1 1<br> O 3.71099959 3.78420000 4.39536634 1 1 1<br> O 3.71099959 7.56840000 4.39536634 1 1 1<br> O 7.43213628 1.89210000 0.87898983 0 0 0<br> O
7.43213628 5.67630000 0.87898983 0 0 0<br> O 7.43213628 9.46050000 0.87898983 0 0 0<br> O 8.83074959 1.89210000 4.39536634 1 1 1<br> O 8.83074959 5.67630000 4.39536634 1 1 1<br> O 8.83074959 9.46050000 4.39536634 1 1 1<br> O 4.52268476 1.89210000 0.00000000 0 0 0<br> O 4.52268476 5.67630000 0.00000000 0 0 0<br> O 4.52268476 9.46050000 0.00000000 0 0 0<br> O 5.92119566 1.89210000 3.51637650 1 1
1<br> O 5.92119566 5.67630000 3.51637650 1 1 1<br> O 5.92119566 9.46050000 3.51637650 1 1 1<br> O 9.64243475 0.00000000 0.00000000 0 0 0<br> O 9.64243475 3.78420000 0.00000000 0 0 0<br> O 9.64243475 7.56840000 0.00000000 0 0 0<br> O 0.80144567 0.00000000 3.51637650 1 1 1<br> O 0.80144567 3.78420000 3.51637650 1 1 1<br> O 0.80144567 7.56840000 3.51637650 1 1 1<br>K_POINTS
automatic <br> 1 2 2 0 0 0 <br> <br><br><br><br><br><br><div> </div><div id="RTEContent"><div id="RTEContent"><div><div><div><div><div><div><div><div><div><div><strong><font color="#0000bf" face="verdana">Kada Yesudas <img
src="http://us.i1.yimg.com/us.yimg.com/i/mesg/tsmileys2/40.gif"></font></strong></div> <div><font color="#0000bf" face="verdana">C/O: Dr. K. Bhanuprakash,</font></div> <div><font color="#0000bf" face="verdana">Indian Institute of Chemical Technology(IICT),</font></div> <div><font color="#0000bf" face="verdana">Habsiguda, Hyderabad-500007</font></div> <div><font color="#0000bf" face="verdana">Andhra Pradesh,</font></div> <div><font color="#0000bf" face="verdana">INDIA</font></div> <div><font color="#bf005f" face="verdana">Tel:27160123 Ext:2430</font></div> <div><font face="courier"></font> </div></div></div></div></div></div></div></div></div></div></div></div><div><br></div></div><br>
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