Hello Mark It makes sense to me , I have already restarted my simulations, hopefully it will write up cpt as it supposed to do.
Best regards Riotto Sent from my Samsung Galaxy smartphone. -------- Original message -------- From: Mark Abraham <mark.j.abra...@gmail.com> Date: 28/1/18 1:17 am (GMT+10:00) To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Replica exchange checkpoint error Hi, They got opened immediately. Fifteen minutes before the checkpoint file. Mark On Sat, Jan 27, 2018, 15:09 金 瑞涛 <jinrui...@hotmail.com> wrote: > Hello Mark > > Thanks for repling me, i am wondering if it is file system problem, why > the other files like trr, xtc and log file were still updated? > > Best regards > > Riotto > > > > Sent from my Samsung Galaxy smartphone. > > > -------- Original message -------- > From: Mark Abraham <mark.j.abra...@gmail.com> > Date: 28/1/18 12:47 am (GMT+10:00) > To: gmx-us...@gromacs.org > Subject: Re: [gmx-users] Replica exchange checkpoint error > > Hi, > > That sounds most likely a file system has decided to go missing by the time > the first checkpoint file is written after fifteen minutes. As such, all > you can do is try again and complain to the cluster admins if it keeps > happening. > > Mark > > On Fri, Jan 26, 2018, 04:09 金 瑞涛 <jinrui...@hotmail.com> wrote: > > > Dear Gromacs users and developers > > > > > > I am currently facing a problem from one of my simulations. I am doing > > replica exchange simulation which has 48 subsystems, when I started the > > simulation, everything wss fine, but when I restarted them from > checkpoint > > file, they looked running, were keeping generating log file, trr file, > edr > > file, etc, but not checkpoint file were generated at all. > > > > > > The version I am using is gromacs/5.1.3, any idea what is going wrong > with > > simulations of grimaces? > > > > > > Best regards > > > > > > Riotto > > > > > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.