Yes, sorry, you should do exactly the same edit for both m_ts_options and m_tbt_options. I have attached a patch for you to apply (that is easier).
Kind regards Nick 2013/10/29 zgp121 <[email protected]> > ** > Dear Nick, > I think there are seveals to modified, 'm_ts_options.F90' and > 'm_tbt_options.F90'. > > can I just let IOnode to check if the HSfiles exist? > no, don't do that. (that requires more modifications) > that is: > the modification in 'm_tbt_options.F90' is for transiesta executables. > No, m_tbt_options is only for tbtrans. > > call check_HSfile('Left',HSFileL,NUsedAtomsL,NUsedOrbsL) => > if (IOnode) then > call check_HSfile('Left',HSFileL,NUsedAtomsL,NUsedOrbsL) > end if > and > call check_HSfile('Right',HSFileR,NUsedAtomsR,NUsedOrbsR)=> > if (IOnode) then > call check_HSfile('Right',HSFileR,NUsedAtomsR,NUsedOrbsR) > end if > inquire(file=TRIM(HSFile),exist=exist) > if ( .not. exist ) then > call die("Scattering region does not exist. & > &Please create scattering region file '"//TRIM(HSFile)//"' first.") > end if > ====> > if (IOnode) then > inquire(file=TRIM(HSFile),exist=exist) > if ( .not. exist ) then > call die("Scattering region does not exist. & > &Please create scattering region file '"//TRIM(HSFile)//"' first.") > end if > end if > > I can sucessfully compile the code after modification. And the test job is > in queue. > > Best regards. > > Guangping > > 2013-10-29 > ------------------------------ > ------------------------------ > *发件人：*Nick Papior Andersen <[email protected]> > *发送时间：*2013-10-29 21:14 > *主题：*Re: [SIESTA-L] About the I/O of new transiesta and tbtrans > *收件人：*"[email protected]"<[email protected]> > *抄送：* > > I believe that this small change will fix the problem (I haven't tested > it). > > In m_ts_options at line 421 it says: > inquire(file=TRIM(HSFile),exist=exist) > > Right after that line add the following: > exist = exist .or. .not. IONode > > Then it should only check the file existence for the master-node. > > Kind regards Nick > > > 2013/10/29 zgp121 <[email protected]> > >> ** >> Dear Nick, >> >> Thanks for your reply. >> >> The batach job sctript only make a copy one the master node. So it is not >> simple to create an empty files on the other nodes. >> >> I will wait the bug fixed to run it parallelly on many nodes. At the >> moment I will run it only on one only, which should wait for a longer time >> in the queue. >> >> Withe best regards. >> >> Yours >> >> Guangping Zhang >> >> 2013-10-29 >> ------------------------------ >> ------------------------------ >> *发件人：*Nick Papior Andersen <[email protected]> >> *发送时间：*2013-10-29 19:18 >> *主题：*Re: [SIESTA-L] About the I/O of new transiesta and tbtrans >> *收件人：*"[email protected]"<[email protected]> >> *抄送：* >> >> This is a "bug" in the code. >> The code checks (for all nodes) whether a file corresponding to the >> electrode TSHS file exists and kiils the job if not. >> >> A simple work-around for the time being is to create an empty file. It is >> only the master node which does the reading/writing anyway. >> You should simply do a touch on the file on all nodes, no need to copy >> the entire TSHS file. >> >> Kind regards Nick >> >> >> 2013/10/29 zgp121 <[email protected]> >> >>> ** >>> ** >>> Dear Transiesta and TBtrans users: >>> >>> I noticed that during the calculation of the Green's function for the >>> leads, the I/O nodes are not only the master node in trunk-444. >>> >>> Becasue I want to parallel the executables on several nodes, also I want >>> to improve the I/O performance, so I copy the files to the local storage of >>> the master node. But the executable complains that there is no TSHS files. >>> So I guess, the nodes other than the master node need to read the TSHS >>> files. >>> >>> Is that true? If so, if I want use the local storage, I should do the >>> parallel on one nodes. >>> >>> With best regards. >>> >>> Yours >>> >>> Guangping Zhang >>> >>> 2013-10-29 >>> ------------------------------ >>> ** >>> >> >> >
patch_electrode_io
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