<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div style="RIGHT: auto">Dear all,</div>
<div style="RIGHT: auto">This is my first experience in running NMR calculations using WIEN2k, and there are some messages produced, which make me me worry if I did it right, so could you please take a look of the following messages produced during running "x_nmr_lapw -p" and let me how to fix? thank you advance!</div>
<div style="RIGHT: auto">Bing</div>
<div style="RIGHT: auto"> </div>
<div style="RIGHT: auto">klist .... ready</div>
<div style="RIGHT: auto">nmr: klists .... done</div>
<div style="RIGHT: auto">cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_q0 ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR> LAPW1 END<BR>16467.848u 7.574s 4:35:47.80 99.5% 0+0k 1432+11738192io 1pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_pqx ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>16208.223u 8.472s 4:31:28.26 99.5% 0+0k 72728+11738192io 5pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_mqx ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>16393.141u 7.083s 4:34:32.05 99.5% 0+0k 28736+11738192io 1pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_pqy ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR style="RIGHT: auto"> _nb in dscgst.F 640 128</div>
<div style="RIGHT: auto">_nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>16644.629u 7.242s 4:38:44.38 99.5% 0+0k 368+11738192io 0pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_mqy ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>15611.832u 6.294s 4:21:15.95 99.6% 0+0k 0+11725328io 0pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_pqz ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F
640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>16097.650u 6.456s 4:29:23.96 99.6% 0+0k 2768+11725328io 2pf+0w<BR>cp: cannot stat `.machines': No such file or directory<BR>cd ./nmr_mqz ... x lapw1 -nmr -p -scratch /scratch/<BR> running lapw1 in single mode<BR> _nb in dscgst.F
640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> _nb in dscgst.F 640 128<BR> LAPW1 END<BR>15460.066u 6.694s 4:18:44.27 99.6% 0+0k 38816+11725328io 3pf+0w</div>
<div style="RIGHT: auto"> lapw1 .... done</div>
<div style="RIGHT: auto">cd ./nmr_q0 ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.183u 0.027s 0:01.29 93.0% 0+0k 4872+7264io 0pf+0w<BR>cd ./nmr_pqx ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.228u 0.024s 0:01.29 96.1% 0+0k 4848+7264io 0pf+0w<BR>cd ./nmr_mqx ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.216u 0.027s 0:01.29 95.3% 0+0k 4856+7264io 0pf+0w<BR>cd ./nmr_pqy ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.228u 0.029s 0:01.34 92.5% 0+0k 4848+7264io 0pf+0w<BR>cd ./nmr_mqy ... x lapw2
-fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.216u 0.034s 0:01.33 93.2% 0+0k 4856+7272io 0pf+0w<BR>cd ./nmr_pqz ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.207u 0.030s 0:01.28 96.0% 0+0k 4040+7264io 0pf+0w<BR>cd ./nmr_mqz ... x lapw2 -fermi -p -scratch /scratch/<BR>running in single mode<BR>LAPW2 - FERMI; weighs written<BR>1.192u 0.032s 0:01.25 97.6% 0+0k 0+7264io 0pf+0w</div>
<div style="RIGHT: auto">weigh files .... ready</div>
<div style="RIGHT: auto">cd ./ ... x lcore -f cryolithionite<BR> CORE END<BR>0.032u 0.006s 0:00.06 50.0% 0+0k 0+1056io 0pf+0w</div>
<div style="RIGHT: auto">cores .... ready</div>
<div style="RIGHT: auto"><BR> EXECUTING: /global/software/wien2k-13/bin/nmr -case cryolithionite -mode current -green -scratch /scratch/ -noco</div>
<div style="RIGHT: auto">grep: nmr_q0/.processes: No such file or directory<BR>grep: nmr_q0/.processes: No such file or directory</div>
<div style="RIGHT: auto"> EXECUTING: /global/software/wien2k-13/bin/nmr -case cryolithionite -mode sumpara -p 0 -green -scratch /scratch/</div>
<div style="RIGHT: auto"><BR>current .... ready</div>
<div style="RIGHT: auto"><BR> EXECUTING: /global/software/wien2k-13/bin/nmr -case cryolithionite -mode integ -green<BR></div>
<div style="RIGHT: auto">nmr: integration ... done in 9.0s</div>
<div style="RIGHT: auto"><BR>stop<BR><VAR id=yui-ie-cursor></VAR><BR></div></div></body></html>