<div dir="ltr"><div dir="ltr"><div>Dear Professor Laurence Marks, thank you for your support :)</div><div>The "BC" program is already installed. I did as you suggested:</div><div>-----------------------------------------------------</div><div>wanderson@carbonari:~/work1/case$ which bc</div><div>/usr/bin/bc</div><div><br></div><div>wanderson@carbonari:~/work1/case$ echo $PATH</div><div>/home/wanderson/WIEN2k_18.2:/home/wanderson/WIEN2k_18.2/SRC_structeditor/bin:/home/wanderson/WIEN2k_18.2/SRC_IRelast/script-elastic:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/libfabric/bin:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin:/opt/intel/compilers_and_libraries_2019.1.144/linux/bin/intel64:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/libfabric/bin:/opt/intel//compilers_and_libraries_2019.1.144/linux/mpi/intel64/bin:/opt/intel/debugger_2019/gdb/intel64/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/snap/bin:.:/home/wanderson/WIEN2k_18.2:.</div><div>------------------------------------------------------</div><div><br></div><div>As I mentioned, I have been doing successful minimizations with other systems and not getting these errors. And I'll also consider redoing the calculations using the <span style="color:rgb(0,0,0);font-family:courier,"courier new",monospace;font-size:14px;white-space:pre-wrap">MSR1a.</span></div></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Em qua, 6 de mar de 2019 às 15:16, Wanderson Lobato Ferreira <<a href="mailto:wlferreira@usp.br">wlferreira@usp.br</a>> escreveu:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Dear users, I have performed successful minimizations, but I have faced this problem with a specific system:</div><div><div>-------------------------------------------------------------------------------------------------------</div><div><i><b>.... bla, bla, bla bla</b></i> </div><div><br></div><div>LAPW2 - FERMI; weights written</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> SUMPARA END</div><div> CORE END</div><div> MIXER END</div><div>ec cc and fc_conv 1 1 1</div><div><br></div><div>> stop</div><div><b>>> (mini) arrived at end -> exit</b></div><div><b>Fallback to compatibility mode with "old" save_lapw</b></div><div><b>broyden files deleted, clm*, dmat*, vorb*, vresp*, eece*, scf and struct files saved under case_2</b></div><div><b>cp: cannot stat 'new_super.clmsum': No such file or directory</b></div><div><b>clmextrapol_lapw did not extrapolate new density because of missing case.rsp</b></div><div> LAPW0 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div>LAPW2 - FERMI; weights written</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> SUMPARA END</div><div> CORE END</div><div> MIXER END</div><div>ec cc and fc_conv 1 1 0</div><div>in cycle 2 ETEST: 0 CTEST: 0</div></div><div><i><b><br></b></i></div><div><i><b>#bla, bla, bla bla...</b></i></div><div><br></div><div>in cycle 41 ETEST: .0000137100000000 CTEST: .0097762</div><div> LAPW0 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div> LAPW1 END</div><div>LAPW2 - FERMI; weights written</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> LAPW2 END</div><div> SUMPARA END</div><div> CORE END</div><div> MIXER END</div><div>ec cc and fc_conv 1 1 0</div><div><b>in cycle 42 ETEST: .0000174350000000 CTEST: .0057861</b></div><div><b> LAPW0 END</b></div><div><b>bc: Command not found.</b></div><div><b>(standard_in) 1: syntax error</b></div><div><b>(standard_in) 1: syntax error</b></div><div><b>(standard_in) 1: syntax error</b></div><div><b>set: Subscript out of range.</b></div><div><b>test: Subscript out of range.</b></div><div><b>>>> (min_lapw) status after run_lapw -fc 0.5 -p -I -i 100\: 1 -> exit</b></div><div>-----------------------------------------------------------------------------------------------</div><div>Regards.</div></div></div></div></div>
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