Dear users and developlers:<br><br>Recently I was trying to compile Wien2k_08 on a cluster which has the information below:<br>shell: tcsh; 4 computers, dual core em64t Xeon, AMD cpu. Ifort: 10.0.023, mkl: 9.1.023<br><br>Firstly I tried to compile under tcsh shell, but it keeps complaining:<br>
ld: incompatible library files: ... skipping lmkl_lapack ...<br><br>and something like that. So I switched to bash shell. under bash shell, I set the compilation flags like below:<br><br>current:FOPT:-FR -mp1 -w -prec_div -pad -ip -DINTEL_VML<br>
current:FPOPT:<br>current:LDFLAGS:-L/home/nanoenergy/a/qiub/intel/fce/10.0.023/lib -lguide -lpthread -static<br>current:DPARALLEL:'-DParallel'<br>current:R_LIBS:-L/home/nanoenergy/a/qiub/intel/mkl/9.1.023/lib/em64t -static -lmkl_lapack -lmkl_em64t -lguide -lpthread<br>
current:RP_LIBS:<br><br>With such settings, compilation was successful, and I continued working in bash shell and set ./userconfig_lapw accordingly. Also I ran w2web in bash shell. Then I tested the serial version, it worked perfectly well. However, when I tried to run the parallel version, it didn't work,<br>
.machines file has already been prepared under the case folder:<br>1:<a href="http://nanoenergy03.ecn.purdue.edu">nanoenergy03.ecn.purdue.edu</a><br>1:<a href="http://nanoenergy02.ecn.purdue.edu">nanoenergy02.ecn.purdue.edu</a><br>
1:<a href="http://nanoenergy01.ecn.purdue.edu">nanoenergy01.ecn.purdue.edu</a><br>1:<a href="http://nanoenergy.ecn.purdue.edu">nanoenergy.ecn.purdue.edu</a><br>granularity:1<br><br>ssh was properly set.<br>parallel was run using w2web and the script in Configuration was set as:<br>
pbs=cat %f >> w2webjob;chmod +x w2webjob;qsub w2webjob<br><br>However, after submitting the jobscript, it quitted after a few seconds. I went to the case folder and open the error file for w2webjob, it only said:<br>
Ambiguous output redirect.<br><br>I checked the automatically produced w2webjob, it is:<br><br>#PBS -l nodes=4,cput=24:00:00,walltime=24:00:00<br>#PBS -me -M <a href="mailto:200210qb@gmail.com">200210qb@gmail.com</a><br>#!/bin/sh<br>
date<br>cd /home/nanoenergy/a/qiub/third<br>run_lapw -p -ec 0.0001 -cc 0.001 -NI >/home/nanoenergy/a/qiub/third/STDOUT 2>&1<br><br>rm /home/nanoenergy/a/qiub/third/.command.361001.4727<br clear="all"><br>I tried for a while but still didn't get a clue, could you please help me with this? Thanks a lot!<br>
<br>Sincerely,<br>Bo<br>