Dear Prof. Verma ji, Everything went well and transiesta is working now. But, I am now experiencing a new problem after doing this.
Either siesta or transiesta, only one at a time is working. I mean, after doing make transiesta and so on.. transiesta is working well, but when I try with siesta test, I get the following error: jv@jv-desktop:~/siesta-trunk-462/Obj/Tests/ag$ make >>>> Running ag test... ==> Copying pseudopotential file for Ag... ==> Running SIESTA as ../../../siesta /bin/sh: 1: ../../../siesta: not found make: *** [completed_work] Error 127 jv@jv-desktop:~/siesta-trunk-462/Obj/Tests/ag$ Same thing happens with transiesta, when I do make siesta and so on... and then try with a test run for transiesta. Please suggest me. Regards, JVN Sarma. On Sat, Jun 27, 2015 at 10:31 AM, Dr. Mohan L. Verma <drmoha...@yahoo.com> wrote: > Dear Sharma ji > > Please read the manual carefully and start from beginning i.e. from the > compilation of transiesta. we are using siesta-trunk-462. > In order to compile transiesta in series Use following steps : > 1. download siesta-trunk-462 from : > http://departments.icmab.es/leem/siesta/CodeAccess/Code/downloads.html > and extract it in home directory > now go to Obj dir and configure using : > $ /home/drmohanlv/siesta-trunk-462/Obj/ sh ../Src/obj_setup.sh > then > $ /home/drmohanlv/siesta-trunk-462/Obj/ ../Src/configure > finally compile transiesta using > $ /home/drmohanlv/siesta-trunk-462/Obj/ make transiesta > this will generate a "transiesta" binary file in this directory. > copy binary file to /home/drmohanlv/bin/ directory by > $ /home/drmohanlv/siesta-trunk-462/Obj/ cp transiesta ~/bin > now for compilation of tbtrans go to > $ /home/drmohanlv/siesta-trunk-462/Util/TBTrans_rep/ > and only type make this will generate "tbtrans" binary file for further use > copy binary file to /home/drmohanlv/bin/ directory by > $ /home/drmohanlv/siesta-trunk-462/Obj/ cp tbtrans ~/bin > After above compilation of "transiesta" and "tbtrans" you can run the > examples in the test directory. > All the best. > > Dr Mohan L Verma > Prof & Head > Department of Applied Physics > FET,SSGI Shri Shankaracharya Technical Campus-Junwani, Bhilai > (Chhattisgrah) INDIA > 490020 > email : drmoha...@gmail.com > > > > > On Friday, 26 June 2015 10:39 PM, Jaehwan Kweon <janikw...@gmail.com> > wrote: > > > that is probably because there is no executable transiesta file in > /your_directory/siesta-3.2/Obj > > so, you need to check whether files are successfully compiled > > try this.. > > $cd siesta-3.2/Obj/ > $make clean > $make transiesta > $cp /directory/siesta/Obj/transiesta /usr/local/bin > > good luck! > > On Sat, Jun 27, 2015 at 1:39 AM, jv sharma <jvnano...@gmail.com> wrote: > > I am still getting the same error, after doing this. That is, like this: > > jv@jv-desktop:~/siesta-3.2/Examples/TranSiesta/Elec/OUT_Test$ transiesta > < elec.fast.fdf > elec.fast.out > transiesta: command not found > jv@jv-desktop:~/siesta-3.2/Examples/TranSiesta/Elec/OUT_Test$ > > On Fri, Jun 26, 2015 at 10:01 PM, Raha khalili <khadije.khal...@gmail.com> > wrote: > > Hi, > > You can try this: > export PATH= /your_directory/siesta-3.2/Obj:$PATH > > Best, > Raha > > On Fri, Jun 26, 2015 at 6:05 PM, jv sharma <jvnano...@gmail.com> wrote: > > > On Fri, Jun 26, 2015 at 9:18 PM, Jaehwan Kweon <janikw...@gmail.com> > wrote: > > you would better install transiesta first > > $cd siesta-3.2/Obj/ > $make transiesta > > then > $cp /directory/siesta/Obj/transiesta /usr/local/bin > > > Now I get like this: > > jv@jv-desktop:~$ cp /directory/siesta-3.2/Obj/transiesta /usr/local/bin > cp: cannot stat ‘/directory/siesta-3.2/Obj/transiesta’: No such file or > directory > jv@jv-desktop:~$ > > > > On Sat, Jun 27, 2015 at 12:36 AM, jv sharma <jvnano...@gmail.com> wrote: > > > > On Fri, Jun 26, 2015 at 4:28 PM, 毛飞 <200921220...@mail.bnu.edu.cn> wrote: > > Hi, Sarma > > It seems that the transiesta can not be found by the system. Do you add > the absolute path of the executable transiesta in the environment variable > $PATH? You can test if it is added in the $PATH by typing “which > transiesta” in the command line. > > > I got like this: > > jv@jv-desktop:~$ which transiesta > jv@jv-desktop:~$ > > I do not understand this. > > > Good luck. > > Fei Mao > USC > > 在2015-06-26,jv sharma <jvnano...@gmail.com> 写道: > > -----原始邮件----- > *发件人:* jv sharma <jvnano...@gmail.com> > *发送时间:* 2015年6月26日 星期五 > *收件人:* siesta-l@uam.es > *抄送:* nickpap...@gmail.com > *主题:* [SIESTA-L] TranSiesta Error after trying to run a fast example > > > Dear Siesta Community, > > > I get the following after trying to run a fast example in TranSiesta: > > jv@jv-desktop:~/siesta-3.2/Examples/TranSiesta/Elec/OUT_Test$ transiesta > < elec.fast.fdf > elec.fast.out > transiesta: command not found > > Please help me to get out of this. > Many thanks. > > Best regards, > JVN Sarma, India. > > > > > > > > -- > Jaehwan Kweon > Sungkyunkwan University(SKKU) & SKKU Advanced Institute of > Nanotechnology(SAINT) > 2066 Seobu-ro, Jangan-gu, Suwon, Gyeonggi 440 - 746, Republic of Korea > > Office:+82-31-299-4871 > C.P.#: 010-5145-8388 > E-mail: janikw...@gmail.com > zaih...@skku.edu > > > > > > -- > > > > > > > > -- > Jaehwan Kweon > Sungkyunkwan University(SKKU) & SKKU Advanced Institute of > Nanotechnology(SAINT) > 2066 Seobu-ro, Jangan-gu, Suwon, Gyeonggi 440 - 746, Republic of Korea > > Office:+82-31-299-4871 > C.P.#: 010-5145-8388 > E-mail: janikw...@gmail.com > zaih...@skku.edu > > >