[MPB-discuss] (no subject)
I ran the following command mpb MPB-official-tutorial.ctl >& MPB-official-tutorial.txt and got the MPB-official-tutorial.txt file successfully but the epsilon.h5 file is neither opening nor running for any of my ctl files. I am unable to examine it and even on running the following command: h5topng −S 3 epsilon.h5 to examine the epsilon.h5 file by converting it into a PNG image I am getting the following error: HDF5-DIAG: Error detected in HDF5 (1.8.11) thread 139643247507264: #000: ../../../src/H5F.c line 1586 in H5Fopen(): unable to open file major: File accessibilty minor: Unable to open file #001: ../../../src/H5F.c line 1275 in H5F_open(): unable to open file: time = Wed Oct 7 19:07:51 2015 , name = '−S', tent_flags = 0 major: File accessibilty minor: Unable to open file #002: ../../../src/H5FD.c line 987 in H5FD_open(): open failed major: Virtual File Layer minor: Unable to initialize object #003: ../../../src/H5FDsec2.c line 343 in H5FD_sec2_open(): unable to open file: name = '−S', errno = 2, error message = 'No such file or directory', flags = 0, o_flags = 0 major: File accessibilty minor: Unable to open file h5topng error: error opening HD5 file Why is the HD5 file not opening? ___ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
[MPB-discuss] Problem with .h5 file
I ran the following command mpb MPB-official-tutorial.ctl >& MPB-official-tutorial.txt and got the MPB-official-tutorial.txt file successfully but the epsilon.h5 file is neither opening nor running for any of my ctl files. I am unable to examine it and even on running the following command: h5topng −S 3 epsilon.h5 to examine the epsilon.h5 file by converting it into a PNG image I am getting the following error: HDF5-DIAG: Error detected in HDF5 (1.8.11) thread 139643247507264: #000: ../../../src/H5F.c line 1586 in H5Fopen(): unable to open file major: File accessibilty minor: Unable to open file #001: ../../../src/H5F.c line 1275 in H5F_open(): unable to open file: time = Wed Oct 7 19:07:51 2015 , name = '−S', tent_flags = 0 major: File accessibilty minor: Unable to open file #002: ../../../src/H5FD.c line 987 in H5FD_open(): open failed major: Virtual File Layer minor: Unable to initialize object #003: ../../../src/H5FDsec2.c line 343 in H5FD_sec2_open(): unable to open file: name = '−S', errno = 2, error message = 'No such file or directory', flags = 0, o_flags = 0 major: File accessibilty minor: Unable to open file h5topng error: error opening HD5 file Why is the HD5 file not opening? ___ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
Re: [MPB-discuss] Problem in installation of MPB
If you used "sudo apt-get install mpb" and it did not give you any errors, then all the dependencies like Guile, libctl, etc should have been installed as well. However your command looks wrong. You seem to have tried to run a script in interactive mode. There are two ways to run MPB: 1) Interactively 2) With a script 1) Interactively: - Just type "mpb" in a terminal and press enter. After that, your command prompt should change to something like "mpb>". You can then directly enter the commands from the wiki, such as: (set! num-bands 8) 2) With a script: - In this case, you pass a .ctl file to mpb, such as the one attached to this e-mail, which runs the first simulation from the official tutorial. To do this, you run the following command: mpb MPB-official-tutorial.ctl All the output will be printed in the terminal. If you want to save it, you redirect the output to a file using ">" like this: mpb MPB-official-tutorial.ctl > MPB-official-tutorial.out Here are some command-line tutorials if you want more info about redirections, etc: http://cli.learncodethehardway.org/book/ http://linuxcommand.org/ And the MPB tutorial, which explains all the MPB basics: http://ab-initio.mit.edu/wiki/index.php/MPB_User_Tutorial On 06/10/15 17:31, ASHINA wrote: > I have installed MPB through command line using the following command > sudo apt-get install mpb > but whenevr I try to run the following > mpb> abc.ctl >& abc.out > I get an error of unbound variable. > Is there a problem in my installation of MPB. Are all the packages like > BLAS, LAPACK etc not installed or am I doing anything else wrong? > > > ___ > mpb-discuss mailing list > mpb-discuss@ab-initio.mit.edu > http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss > ; based on http://ab-initio.mit.edu/wiki/index.php/MPB_User_Tutorial (first part only) (set! num-bands 8) (set! k-points (list (vector3 0 0 0) ; Gamma (vector3 0.5 0 0) ; X (vector3 0.5 0.5 0) ; M (vector3 0 0 0))) ; Gamma (set! k-points (interpolate 4 k-points)) (set! geometry (list (make cylinder (center 0 0 0) (radius 0.2) (height infinity) (material (make dielectric (epsilon 12)) (set! geometry-lattice (make lattice (size 1 1 no-size))) (set! resolution 32) (run-te) ; Not in a code block on the wiki, but mentioned in the text. signature.asc Description: OpenPGP digital signature ___ mpb-discuss mailing list mpb-discuss@ab-initio.mit.edu http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
