[Wien] Compilation of Wien2k on tcsh (bash) shell --- question about parallel version

[Bo Qiu]

Dear users and developlers:

Recently I was trying to compile Wien2k_08 on a cluster which has the
information below:
shell: tcsh; 4 computers, dual core em64t Xeon, AMD cpu. Ifort: 10.0.023,
mkl: 9.1.023

Firstly I tried to compile under tcsh shell, but it keeps complaining:
ld: incompatible library files: ... skipping lmkl_lapack ...

and something like that. So I switched to bash shell. under bash shell, I
set the compilation flags like below:

current:FOPT:-FR -mp1 -w -prec_div -pad -ip -DINTEL_VML
current:FPOPT:
current:LDFLAGS:-L/home/nanoenergy/a/qiub/intel/fce/10.0.023/lib -lguide
-lpthread -static
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/home/nanoenergy/a/qiub/intel/mkl/9.1.023/lib/em64t -static
-lmkl_lapack -lmkl_em64t -lguide -lpthread
current:RP_LIBS:

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,
.machines file has already been prepared under the case folder:
1:nanoenergy03.ecn.purdue.edu
1:nanoenergy02.ecn.purdue.edu
1:nanoenergy01.ecn.purdue.edu
1:nanoenergy.ecn.purdue.edu
granularity:1

ssh was properly set.
parallel was run using w2web and the script in Configuration was set as:
pbs=cat %f >> w2webjob;chmod +x w2webjob;qsub w2webjob

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:
Ambiguous output redirect.

I checked the automatically produced w2webjob, it is:

#PBS -l nodes=4,cput=24:00:00,walltime=24:00:00
#PBS -me -M 200210qb at gmail.com
#!/bin/sh
date
cd /home/nanoenergy/a/qiub/third
run_lapw -p  -ec 0.0001 -cc 0.001 -NI >/home/nanoenergy/a/qiub/third/STDOUT
2>&1

rm /home/nanoenergy/a/qiub/third/.command.361001.4727

I tried for a while but still didn't get a clue, could you please help me
with this? Thanks a lot!

Sincerely,
Bo
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