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<DIV><FONT size=2>Dear all:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I am using pwcond.x to calculating the transimission of a
system. The pwcond.x is compiled by openmpi 1.1.4. The pwcond.x was tested
and confirmed get the same results as the example 12.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I wrote the input file just follow the example 12. The
necessary files from the scf calculation is in the directory ./outdir. The
input file is as follows:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>--------------</FONT></DIV>
<DIV><FONT size=2> &inputcond<BR>
outdir='./outdir',<BR> prefixl='lead',<BR>
prefixs='scattering',<BR>
tran_file='trans.file',<BR> ikind = 1,<BR>
energy0=3.d0,<BR> denergy=0.d0,<BR>
ewind=4.d0,<BR> epsproj=1.d-2,<BR> nz1 =
1,<BR> /<BR> 1<BR> 0.0 0.0
1.0<BR>18<BR> 3.0<BR> 2.7<BR> 2.5<BR> 1.6<BR>
1.0<BR> 0.9<BR> 0.1<BR>
0.0<BR> -0.1<BR> -0.25<BR> -1.15<BR> -1.45<BR> -1.9<BR> -3.0<BR> -4.0<BR> -5.0<BR> -6.0<BR> -6.2<BR>---------------------</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>After I typed the command "pwcond.x < cond.in ", the last
line of the standard out is as follows:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>-----------------------</FONT></DIV>
<DIV><FONT size=2>
k( 1) = ( 0.0000000 0.0000000), wk
= 1.0000000</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2> ngper, shell number
=
537 108<BR>Signal:11
info.si_errno:0(Success) si_code:1(SEGV_MAPERR)<BR>Failing at
addr:0x98f7e70da0<BR>[0] func:/opt/mpi/ifort/openmpi-1.1.4/lib/libopal.so.0
[0x2a9588366a]<BR>[1] func:/lib64/tls/libpthread.so.0 [0x31c8e0c420]<BR>[2]
func:pwcond.x(local_1_+0x110e) [0x478778]<BR>[3] func:pwcond.x(local_+0xab6)
[0x474fdc]<BR>[4] func:pwcond.x(do_cond_+0x8ed) [0x45a565]<BR>[5]
func:pwcond.x(MAIN__+0x48) [0x4584b4]<BR>[6] func:pwcond.x(main+0x2a)
[0x44c2a2]<BR>[7] func:/lib64/tls/libc.so.6(__libc_start_main+0xdb)
[0x31c851c4bb]<BR>[8] func:pwcond.x(free+0x52) [0x44c1ea]<BR>*** End of error
message ***<BR>Segmentation fault<BR>-----------------------</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>What may the problem be?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Thank you in advance.</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Yours Wang</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>------------------------------------<BR>王秦镜，复旦大学物理系研究生<BR>Wang
Qinjing, Physics Department, <BR>Fudan University</FONT></DIV></BODY></HTML>