From gsabo at crimson.ua.edu Sun Dec 3 10:26:21 2017 From: gsabo at crimson.ua.edu (Gavin Abo) Date: Sun, 3 Dec 2017 02:26:21 -0700 Subject: [xcrysden] xcrysden window could not OPEN In-Reply-To: <873394488.4701407.1511987421973@mail.yahoo.com> References: <873394488.4701407.1511987421973.ref@mail.yahoo.com> <873394488.4701407.1511987421973@mail.yahoo.com> Message-ID: <7af1c9da-dbfe-363e-b155-7c127eeefc25@crimson.ua.edu> In your post I see "xcrysden-1.5.60-bin-shared".? Maybe it is because you used the shared instead of the semishared package: I just tried and the xcrysden semishared binary package successfully ran on ubuntu 16.04 installed on a USB stick.? The installation process was very similar to CentOS 7 [ http://www.democritos.it/pipermail/xcrysden/2017-July/001889.html ] and Fedora [ http://www.democritos.it/pipermail/xcrysden/2015-March/001697.html ]: 1. Went to: https://www.ubuntu.com/download/desktop 2. Downloaded: ubuntu-16.04.3-desktop-amd64.iso 3. Went to: http://linuxliveusb.com/ 4. Downloaded: LinuxLive USB Creator 2.9.4.exe 5. Ran: LinuxLive USB Creator 2.9.4.exe a. Clicked OK b. Clicked Next c. Clicked Install d. Clicked Next e. "Run LinuxLive USB Creator" should be checked, then clicked Finish 6. In LinuxLive USB Creator: a. For Choose Your Key, selected the USB stick b. For Choose a Source, selected ISO/IMG/ZIP, and select ubuntu-16.04.3-desktop-amd64.iso c. For Persistence, selected 2000 MB d. Clicked the lightning icon to start the creation of the bootable USB stick 7. Booted from the USB stick a. Clicked Try Ubuntu b. Connected to the Internet (Wifi [ https://help.ubuntu.com/stable/ubuntu-help/net-wireless-connect.html ]) 8. Opened a terminal and performed the following: ubuntu at ubuntu:~$ wget http://www.xcrysden.org/download/xcrysden-1.5.60-linux_x86_64-semishared.tar.gz ... ubuntu at ubuntu:~$ tar xvf xcrysden-1.5.60-linux_x86_64-semishared.tar.gz ... ubuntu at ubuntu:~$ cd xcrysden-1.5.60-bin-semishared/scripts/ ubuntu at ubuntu:~/xcrysden-1.5.60-bin-semishared/scripts$ ./xcConfigure.sh ... ?? Used defaults ?? Do you have a CRYSTAL package ([y]es/[n]o): n ?? Is this correct ([y]es/[n]o): y ... ?? Would you like to add xcrysden icon to the desktop ([y]es/[n]o): y ... ubuntu at ubuntu:~/xcrysden-1.5.60-bin-semishared/scripts$ source ~/.bashrc ubuntu at ubuntu:~/xcrysden-1.5.60-bin-semishared/scripts$ xcrysden On 11/29/2017 1:30 PM, Lawal Mohammed wrote: > Dear all, > > > I have installed and configure xcrysden successfully without any error. But, the window does not open. > Running on platform : unix > ?? Operating system : Linux > Package ImageMagick's convert: /usr/bin/convert > Package ImageMagick's import: /usr/bin/import > Package Ppmtompeg: /usr/bin/ppmtompeg > Package Xwd: /usr/bin/xwd > Executing: /user/xcrysden-1.5.60-bin-shared/bin/ftnunit > > What could have been my mistake? I need your help on this, I am using > ubuntu 16.04. > Thank you. > > Regards > > */Lawal Mohammed /*/(PhD) > / > > /Scientific Computing and Instrumentation Research Group (SCnI)/ > /Department of ?Physics Faculty of Science / > /Universiti ?Teknologi Malaysia/ > /81310 Skudai, Johor Malaysia/ > +601131226655 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20171203/b0262058/attachment.htm From tone.kokalj at ijs.si Mon Dec 4 13:40:16 2017 From: tone.kokalj at ijs.si (Tone Kokalj) Date: Mon, 04 Dec 2017 13:40:16 +0100 Subject: [xcrysden] xcrysden window could not OPEN In-Reply-To: <873394488.4701407.1511987421973@mail.yahoo.com> References: <873394488.4701407.1511987421973.ref@mail.yahoo.com> <873394488.4701407.1511987421973@mail.yahoo.com> Message-ID: <1512391216.18261.7.camel@ijs.si> On Wed, 2017-11-29 at 20:30 +0000, Lawal Mohammed wrote: > Dear all, > > > I have installed and configure xcrysden successfully without any > error. But, the window does not open.? > Running on platform : unix > ?? Operating system : Linux > Package ImageMagick's convert: /usr/bin/convert > Package ImageMagick's import: /usr/bin/import > Package Ppmtompeg: /usr/bin/ppmtompeg > Package Xwd: /usr/bin/xwd > Executing: /user/xcrysden-1.5.60-bin-shared/bin/ftnunit Is this really the last output you get? Do you get the prompt back? If not, then perhaps xcrysden window is iconified? Best regards, Tone -- J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia? (tel: +386-1-477-3523 // fax: +386-1-251-9385) From mohammedlawal08 at yahoo.com Tue Dec 5 14:19:51 2017 From: mohammedlawal08 at yahoo.com (Lawal Mohammed) Date: Tue, 5 Dec 2017 13:19:51 +0000 (UTC) Subject: [xcrysden] xcrysden window could not OPEN In-Reply-To: <1512391216.18261.7.camel@ijs.si> References: <873394488.4701407.1511987421973.ref@mail.yahoo.com> <873394488.4701407.1511987421973@mail.yahoo.com> <1512391216.18261.7.camel@ijs.si> Message-ID: <873707784.1839610.1512479991280@mail.yahoo.com> Dear Prof. Tone, Thank you for your email. Is this really the last output you get?................ Yes, that was the only output I got. However, the problem is now resolved after I used the semishared package as suggested by Gavin. Thanks. Kind regards. Lawal Mohammed (PhD) Scientific Computing and Instrumentation Research Group (SCnI)Department of ?Physics Faculty of Science?Universiti ?Teknologi Malaysia81310 Skudai, Johor Malaysia+601131226655 On Monday, December 4, 2017, 1:40:49 PM GMT+1, Tone Kokalj wrote: On Wed, 2017-11-29 at 20:30 +0000, Lawal Mohammed wrote: > Dear all, > > > I have installed and configure xcrysden successfully without any > error. But, the window does not open.? > Running on platform : unix > ?? Operating system : Linux > Package ImageMagick's convert: /usr/bin/convert > Package ImageMagick's import: /usr/bin/import > Package Ppmtompeg: /usr/bin/ppmtompeg > Package Xwd: /usr/bin/xwd > Executing: /user/xcrysden-1.5.60-bin-shared/bin/ftnunit Is this really the last output you get? Do you get the prompt back? If not, then perhaps xcrysden window is iconified? Best regards, Tone -- J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia? (tel: +386-1-477-3523 // fax: +386-1-251-9385) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/xcrysden/attachments/20171205/aa29442b/attachment.htm From muthu.physicsmath at gmail.com Tue Dec 5 14:44:07 2017 From: muthu.physicsmath at gmail.com (Muthu V) Date: Tue, 5 Dec 2017 14:44:07 +0100 Subject: [xcrysden] problem with xcrys-1.5.60 Message-ID: Dear all i tried to open pw.in file using xcrysden-1.5.60 semishared version but i got following error message Error: an error occured while trying to update a structure; error reading file /tmp/xc_2436/xc_struc.2436. *But the same input file is working with lower version (xcrys-1.5.53 semishared) perfectly. i have enclosed the input **file** and error * *message** i got in terminal. how can i **solve** this problem?* *( of-course i can use the working version 1.5.53 )* Running on platform : unix Operating system : Linux Package ImageMagick's convert: /usr/bin/convert Package ImageMagick's import: /usr/bin/import Package Mencoder: /usr/bin/mencoder Package Ppmtompeg: /usr/bin/ppmtompeg Package Xwd: /usr/bin/xwd Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/ftnunit TEXT-WIDGET: .a1.f1.t Executing: sh /home/vallin59/scratch/.xcrysden-1.5.60/scripts/pwi2xsf.sh /bigdata/MD/vallin59/hydra_home/qe-6.1/0-run/0-mos2/relax.in reading PRIMCOORD Number of Atoms: 0 Number of Frames: 0 Estimated number of bonds = 0 sInfo(dim) = 3; periodic(dim) = 3 Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/gengeom 0 1 11 1 1 1 1 xc_gengeom.2436 /tmp/xc_2436/pwi2xsf.xsf_out.raw Executing: /home/vallin59/scratch/.xcrysden-1.5.60/bin/gengeom 2 1 11 9 1 1 1 /tmp/xc_2436/xc_struc.2436 /tmp/xc_2436/pwi2xsf.xsf_out.raw reading PRIMCOORD reading CONVCOORD "/tmp/xc_2436/xc_struc.2436" Error in startup script: can't read "sInfo(ldatagrid2D)": no such variable while executing "if { $sInfo(ldatagrid2D) || $sInfo(ldatagrid3D) } { $m.menu entryconfig "Data Grid" -state normal } else { $m.menu entryconfig "Data Grid" -stat..." (procedure "Get_sInfoArray" line 13) invoked from within "Get_sInfoArray" (procedure "xsfOpen" line 92) invoked from within "xsfOpen $program_output .mesa" (procedure "openExtStruct" line 183) invoked from within "openExtStruct 3 crystal external [list sh $system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf.xsf_out {PWSCF Input File} ANGS -file $filedir -preset pwIn..." invoked from within "if [file exists $filedir] { # pop-up Viewer ViewMol . openExtStruct 3 crystal external [list sh $system(TOPDIR)/scripts/pwi2xsf.sh] pwi2xsf..." (procedure "parseComLinArg" line 89) invoked from within "parseComLinArg [lrange $argv 2 end]" invoked from within "if { [llength $argv] > 2 } { parseComLinArg [lrange $argv 2 end] } else { ViewMol . }" (file "/home/vallin59/scratch/.xcrysden-1.5.60/Tcl/xcInit.tcl" line 609) ?Thank you ?---- Muthu Vallinayagam PhD Student HZDR, Germany ? Sent with Mailtrack -------------- next part -------------- An HTML attachment was scrubbed... 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