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charles0116金蟲 (初入文壇)
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[求助]
在線等！tutorial test 1 H2 計算總能 只有l(wèi)og，沒有其他�。ㄒ呀鉀Q）
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本人linux菜鳥，abinit菜鳥，請詳細說明 log 內(nèi)容如下： ABINIT Give name for formatted input file: tbase1_1.in Give name for formatted output file: tbase1_1.out Give root name for generic input files: tbase1_1i Give root name for generic output files: tbase1_1o Give root name for generic temporary files: tbase1_1 .Version 7.0.5 of ABINIT .(sequential version, prepared for a x86_64_linux_intel11.1 computer) .Copyright (C) 1998-2012 ABINIT group . ABINIT comes with ABSOLUTELY NO WARRANTY. It is free software, and you are welcome to redistribute it under certain conditions (GNU General Public License, see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt). ABINIT is a project of the Universite Catholique de Louvain, Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt . Please read ~abinit/doc/users/acknowledgments.html for suggested acknowledgments of the ABINIT effort. For more information, see http://www.abinit.org . .Starting date : Sun 24 Mar 2013. - ( at 15h25 ) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ === Build Information === Version : 7.0.5 Build target : x86_64_linux_intel11.1 Build date : 20130324 === Compiler Suite === C compiler : gnu4.5 CFLAGS : -g -O2 -mtune=native -march=native -mfpmath=sse C++ compiler : gnu4.5 CXXFLAGS : -g -O2 -mtune=native -march=native -mfpmath=sse Fortran compiler : intel11.1 FCFLAGS : -g -extend-source -vec-report0 -noaltparam -nofpscomp FC_LDFLAGS : -static-intel -static-libgcc === Optimizations === Debug level : basic Optimization level : standard Architecture : unknown_unknown === MPI === Parallel build : no Parallel I/O : no Time tracing : no GPU support : no === Connectors / Fallbacks === Connectors on : yes Fallbacks on : yes DFT flavor : libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback FFT flavor : none LINALG flavor : netlib-fallback MATH flavor : none TIMER flavor : abinit TRIO flavor : netcdf-fallback+etsf_io-fallback === Experimental features === Bindings : no Exports : no GW double-precision : no ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Default optimizations: -O2 -xHost ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ CPP options activated during the build: CC_GNU CXX_GNU FC_INTEL HAVE_DFT_ATOMPAW HAVE_DFT_BIGDFT HAVE_DFT_LIBXC HAVE_DFT_WANNIER90 HAVE_FC_ALLOCATABLE_DT... HAVE_FC_CPUTIME HAVE_FC_EXIT HAVE_FC_ISO_C_BINDING HAVE_FC_NULL HAVE_FC_STREAM_IO HAVE_OS_LINUX HAVE_TIMER HAVE_TIMER_ABINIT HAVE_TIMER_SERIAL HAVE_TRIO_ETSF_IO HAVE_TRIO_NETCDF ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ - input file -> tbase1_1.in - output file -> tbase1_1.out - root for input files -> tbase1_1i - root for output files -> tbase1_1o -instrng : 68 lines of input have been read from file tbase1_1.in iofn2 : Please give name of formatted atomic psp file iofn2 : for atom type 1 , psp file is Psps_for_tests/01h.pspgth forrtl: No such file or directory forrtl: severe (29): file not found, unit 9, file /home/charles/桌面/abinit-7.0.5/tests/tutorial/Input/Work/fort.9 [ Last edited by charles0116 on 2013-3-24 at 16:40 ] |
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說明那個files文件中指定了路徑和文件名的贗勢文件不存在。 如果不理解files文件的運作原理，可以看http://www.abinit.org/documentat ... new_user_guide.html，也可以看http://www.gaoyang168.com/bbs/viewthread.php?tid=4923069&fpage=1 |
2樓2013-03-24 16:52:11
charles0116
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3樓2013-03-24 18:07:32
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