<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><br></div>Hi,<br><br> I run a test job after installed binary Molpro (Version 2010.1 for <br><br>architecture Linux/x86_64, standard code, mpp (Patchlevel 24)),<br><br>some errors occured.<br><br> Any help is appreciated? Thanks in advance.<br><br> Bing<br><br><br><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;">___- error message using molpro -v -n 2 -d tmpdir ----<br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color:
transparent; font-style: normal;"><br></div><div style="color: rgb(0, 0, 0); font-size: 16px; font-family: times new roman,new york,times,serif; background-color: transparent; font-style: normal;"> # PARALLEL mode<br> nodelist=2<br> first =2<br> second =<br> third =<br> HOSTFILE_FORMAT: $user $hostname 1 $exe $working_dir<br><br>XX XXX 1 /soft/molpro/lib/bin/molpro.exe /home/lr/test<br>XX XXX 1 /soft/molpro/lib/bin/molpro.exe /home/lr/test<br><br> export LD_LIBRARY_PATH=':'<br> export AIXTHREAD_SCOPE='s'<br> export MOLPRO_PREFIX='/soft/molpro/lib'<br> export MP_NODES='0'<br> export MP_PROCS='2'<br> MP_TASKS_PER_NODE=''<br> export MOLPRO_NOARG='1'<br> export MOLPRO_OPTIONS=' -v -d /home/lr/tmp/ test.inp'<br> export MOLPRO_OPTIONS_FILE='/tmp/molpro_options.10202'<br>
MPI_MAX_CLUSTER_SIZE=''<br> export PROCGRP='/tmp/procgrp.10202'<br> export RT_GRQ='ON'<br> TCGRSH=''<br> TMPDIR=''<br> export XLSMPOPTS='parthds=1'<br>/soft/molpro/lib/parallel.x /soft/molpro/lib/bin/molpro.exe -v -d /home/lr/tmp/ test.inp<br> 0: pbegin: -master present but not other arguments 6 (0x6).<br> 0: pbegin: -master present but not other arguments 6 (0x6).<br>tmp = /home/lr/pdir//soft/molpro/lib/bin/molpro.exe.p<br> Creating: host=yan1, user=lr,<br> file=/soft/molpro/lib/bin/molpro.exe, port=48782<br> 2: interrupt(1)<br></div></div></body></html>