Hello,
yes sir, i got the file location but from that directory i am not able to run test/ff94_prm.out, it showed :
[root.nis leap]# ls0README ff91_prm.cmd ff94_iowatprm.cmd ions94.cmd plepff91 ff94 ff94_prm.cmd lib91.cmd Run.tleapff91.cmd ff94.cmd ions91.cmd lib94.cmd tleap[root.nis leap]# test/ff94_prm.out-bash: test/ff94_prm.out: No such file or directory[root.nis leap]# make test/ff94_prm.outmake: *** No rule to make target `test/ff94_prm.out'. Stop.[root.nis leap]#
so,what can i do next?
regards,
Souvik Sur
Ph. D. Student
Department Of Chemistry
University Of Delhi
India
> Date: Thu, 9 Jun 2011 21:49:59 +0800
> From: teonghan.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] Loadin AMBER9 in linux
>
> Hi,
>
> It should be at AmberTools/test/leap. Look for a file named ff94_prm.out.
>
> Thanks.
>
> On Thu, Jun 9, 2011 at 2:23 PM, souvik sur <souviksur.hotmail.com> wrote:
>
> >
> > Hello sir,
> > can you please tell me what command is necessary to run
> > test/ff94_prm.outand from which directory?I ran the command from
> > /amber9/src/test
> > and I got the following output :
> >
> >
> > [root.nis test]# test/ff94_prm.out-bash: test/ff94_prm.out: No such file
> > or directory[root.nis test]# make test/ff94_prm.outmake: *** No rule to
> > make target `test/ff94_prm.out'. Stop.
> >
> > regards,
> > Souvik Sur
> > Ph. D. Student
> > Department Of Chemistry
> > University Of Delhi
> > India
> >
> >
> >
> >
> > > Date: Wed, 8 Jun 2011 20:56:56 +0800
> > > From: teonghan.gmail.com
> > > To: amber.ambermd.org
> > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > >
> > > Hi,
> > >
> > > Can you post what you have in test/ff94_prm.out here?
> > >
> > > Thanks.
> > >
> > > On Wed, Jun 8, 2011 at 5:31 PM, souvik sur <souviksur.hotmail.com>
> > wrote:
> > >
> > > >
> > > > Dear sir,
> > > > I am still getting error in leap
> > > >
> > > >
> > > >
> > > > ==============================================================diffing
> > > > pimd_gb7.out.save with
> > > >
> > pimd_gb7.outPASSED==============================================================diffing
> > > > pimd_gb1_nscm.out.save with
> > > >
> > pimd_gb1_nscm.outPASSED==============================================================cd
> > > > qmmm2/pimd_gb; ./Run.pimddiffing pimd_qmgb2_igb1.out.save with
> > > >
> > pimd_qmgb2_igb1.outPASSED==============================================================cd
> > > > qmmm2/pimd_pme; ./Run.pimddiffing pimd_qmewald1.out.save with
> > > >
> > pimd_qmewald1.outPASSED==============================================================diffing
> > > > pimd_qmewald2.out.save with
> > > >
> > pimd_qmewald2.outPASSED==============================================================cd
> > > > water2_qmmmnmr; ./Run.wnmrdiffing mdout.wnmr.save with
> > > >
> > mdout.wnmrPASSED==============================================================diffing
> > > > divcon.out.save with
> > > >
> > divcon.outPASSED==============================================================cd
> > > > crambin_qmmmnmr; ./Run.cnmrdiffing mdout.cnmr.save with
> > > >
> > mdout.cnmrPASSED==============================================================diffing
> > > > divcon.out.save with
> > > >
> > divcon.outPASSED==============================================================cd
> > > > qmmm2/crambin; ./Run.crambin_divcondiffing crambin_divcon.out.save with
> > > > crambin_divcon.outpossible FAILURE: check
> > > >
> > crambin_divcon.out.dif==============================================================cd
> > > > qmmm2/lysine_PM3; ./Run.lysine_divcondiffing lysine_divcon.out.save
> > with
> > > >
> > lysine_divcon.outPASSED==============================================================cd
> > > > qmmm2/lysine_PM3; ./Run.lysine_md_divcondiffing
> > lysine_md_divcon.out.save
> > > > with
> > > >
> > lysine_md_divcon.outPASSED==============================================================cd
> > > > qmmm2/lysine_AM1; ./Run.lysine_divcondiffing lysine_divcon.out.save
> > with
> > > >
> > lysine_divcon.outPASSED==============================================================cd
> > > > qmmm2/2pk4; ./Run.2pk4_standiffing 2pk4_stan.out.save with
> > > > 2pk4_stan.outpossible FAILURE: check
> > > >
> > 2pk4_stan.out.dif==============================================================cd
> > > > amoeba_wat1; ./Run.amoeba_wat1diffing amoeba_wat1.out.save with
> > > >
> > amoeba_wat1.outPASSED==============================================================cd
> > > > amoeba_wat2; ./Run.amoeba_wat2diffing amoeba_wat2.out.save with
> > > >
> > amoeba_wat2.outPASSED==============================================================cd
> > > > amoeba_wat2; ./Run.ntpverletdiffing ntpverlet.save with
> > > >
> > ntpverletPASSED==============================================================cd
> > > > amoeba_gb1; ./Run.amoeba_gb1diffing mdout.amoeba_gb1.save with
> > > >
> > mdout.amoeba_gb1PASSED==============================================================cd
> > > > amoeba_jac; ./Run.amoeba_jacdiffing amoeba_jac.mdout.save with
> > > > amoeba_jac.mdoutpossible FAILURE: check
> > > >
> > amoeba_jac.mdout.dif==============================================================cd
> > > > amoeba_formbox; ./Run.amoeba_formboxdiffing amoeba_formbox.mdout.save
> > with
> > > >
> > amoeba_formbox.mdoutPASSED==============================================================cd
> > > > nmode; ./Run.ala-dipeptide
> > > > NMODE: find normal modesdiffing vibs.out.save with
> > > >
> > vibs.outPASSED==============================================================
> > > > NMODE: find Langevin modesdiffing lvibs.out.save with
> > > >
> > lvibs.outPASSED==============================================================diffing
> > > > lmode.head.save with
> > > >
> > lmode.headPASSED==============================================================
> > > > cd nmode; ./Run.ala-dipeptide_rgroup
> > > > NMODE: find normal modes, with a restraint weightingdiffing
> > vibsr.out.save
> > > > with
> > > >
> > vibsr.outPASSED==============================================================cd
> > > > newton_raph; ./Run.newton_raphdiffing nmd_min.out.save with
> > > >
> > nmd_min.outPASSED==============================================================cd
> > > > vac_rna; ./Run.analdiffing analout.save with
> > > >
> > analoutPASSED==============================================================cd
> > > > vac_rna; ./Run.anal_pdbdiffing pdb1.save with
> > > >
> > pdb1PASSED==============================================================cd
> > > > ptraj_matrix; ./Run.matrix
> > > > ptraj: analyze fluctuation matricesdiffing 1rrb_vac_distmat.dat.save
> > with
> > > >
> > 1rrb_vac_distmat.datPASSED==============================================================diffing
> > > > 1rrb_vac_mwcovarmat_evecs.dat.save with
> > > >
> > 1rrb_vac_mwcovarmat_evecs.datPASSED==============================================================diffing
> > > > 1rrb_vac_distcovarmat_evecs.dat.save with
> > > >
> > 1rrb_vac_distcovarmat_evecs.datPASSED==============================================================cd
> > > > ptraj_rms; ./Run.rms
> > > > ptraj: test rms and 2drms commandsdiffing rms_fit.dat.save with
> > > >
> > rms_fit.datPASSED==============================================================diffing
> > > > rms_nofit.dat.save with
> > > >
> > rms_nofit.datPASSED==============================================================diffing
> > > > rms2d.ps.save with
> > > >
> > rms2d.psPASSED==============================================================cd
> > > > ptraj_les; ./Run.les
> > > > ptraj: test ptraj on computing rdf for les filediffing
> > > > rdf_standard.xmgr.save with
> > > >
> > rdf_standard.xmgrPASSED==============================================================diffing
> > > > rdf_volume.xmgr.save with
> > > >
> > rdf_volume.xmgrPASSED==============================================================
> > > > ptraj: test ptraj on splitting les trajectory to normal
> > trajectorydiffing
> > > > hef_splitted.crd.save with
> > > >
> > hef_splitted.crdPASSED==============================================================diffing
> > > > input.pdb.1.save with
> > > >
> > input.pdb.1PASSED==============================================================diffing
> > > > input.pdb.2.save with
> > > >
> > input.pdb.2PASSED==============================================================diffing
> > > > input.pdb.3.save with
> > > >
> > input.pdb.3PASSED==============================================================diffing
> > > > input.pdb.4.save with
> > > >
> > input.pdb.4PASSED==============================================================diffing
> > > > input.rst.1.save with
> > > >
> > input.rst.1PASSED==============================================================diffing
> > > > input.rst.2.save with
> > > >
> > input.rst.2PASSED==============================================================diffing
> > > > input.rst.3.save with
> > > >
> > input.rst.3PASSED==============================================================diffing
> > > > input.rst.4.save with
> > > >
> > input.rst.4PASSED==============================================================
> > > > ptraj: test ptraj on averaging les trajectory to normal
> > trajectorydiffing
> > > > hef_averaged.crd.save with
> > > >
> > hef_averaged.crdPASSED==============================================================cd
> > > > leap; ./Run.tleap
> > > > Running leap tests on ./tleap -> ../../exe/teLeap
> > > > building force field libraries:
> > > > '91 ff..
> > > > diffing ../../dat/leap/lib/all_amino91.lib with
> > > >
> > all_amino91.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_aminoct91.lib with
> > > >
> > all_aminoct91.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_aminont91.lib with
> > > >
> > all_aminont91.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_nucleic91.lib with
> > > >
> > all_nucleic91.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/ions91.lib with
> > > >
> > ions91.libPASSED==============================================================
> > > > '94 ff..
> > > > diffing ../../dat/leap/lib/all_amino94.lib with
> > > >
> > all_amino94.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_aminoct94.lib with
> > > >
> > all_aminoct94.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_aminont94.lib with
> > > >
> > all_aminont94.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/all_nucleic94.lib with
> > > >
> > all_nucleic94.libPASSED==============================================================diffing
> > > > ../../dat/leap/lib/ions94.lib with
> > > >
> > ions94.libPASSED==============================================================
> > > > loadpdb and saveamberparm: 94 ff..
> > > > ./Run.tleap: Program error in leapmake: *** [test.leap] Error 1
> > > >
> > > >
> > > >
> > > > Is there any other command to check the proper loading of amber?
> > > >
> > > >
> > > > regards,
> > > > Souvik Sur
> > > > Ph. D. Student
> > > > Department Of Chemistry
> > > > University Of Delhi
> > > > India
> > > >
> > > >
> > > >
> > > >
> > > > > Date: Wed, 8 Jun 2011 15:45:12 +0800
> > > > > From: teonghan.gmail.com
> > > > > To: amber.ambermd.org
> > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > >
> > > > > Hi,
> > > > >
> > > > > It seem the export went ok. Did you still get the error of "Error -
> > must
> > > > > define AMBERHOME environment variable"?
> > > > >
> > > > > Thanks.
> > > > >
> > > > > On Wed, Jun 8, 2011 at 3:26 PM, souvik sur <souviksur.hotmail.com>
> > > > wrote:
> > > > >
> > > > > >
> > > > > > Dear sir,
> > > > > > This is the following message :
> > > > > >
> > > > > >
> > > > > >
> > > > > >
> > > > > > [root.nis ~]# AMBERHOME=/home/cshrc/amber9/
> > > > > > [root.nis ~]# export AMBERHOME
> > > > > > [root.nis ~]# env
> > > > > > ORBIT_SOCKETDIR=/tmp/orbit-root
> > > > > > HOSTNAME=nis.server
> > > > > > IMSETTINGS_INTEGRATE_DESKTOP=yes
> > > > > > SHELL=/bin/bash
> > > > > > TERM=xterm
> > > > > > HISTSIZE=1000
> > > > > >
> > > > > >
> > > >
> > XDG_SESSION_COOKIE=31fd11201947efa211d767e40000000f-1307508140.187667-1787110966
> > > > > > GTK_RC_FILES=/etc/gtk/gtkrc:/root/.gtkrc-1.2-gnome2
> > > > > > WINDOWID=29360132
> > > > > > QTDIR=/usr/lib64/qt-3.3
> > > > > > OLDPWD=/home/cshrc/amber9
> > > > > > QTINC=/usr/lib64/qt-3.3/include
> > > > > > IMSETTINGS_MODULE=none
> > > > > > NO_PROXY=localhost,127.0.0.0/8
> > > > > > USER=root
> > > > > > http_proxy=http://proxy.du.ac.in:3128/
> > > > > >
> > > > > >
> > > >
> > LS_COLORS=rs=0:di=01;34:ln=01;36:mh=00:pi=40;33:so=01;35:do=01;35:bd=40;33;01:cd=40;33;01:or=40;31;01:mi=01;05;37;41:su=37;41:sg=30;43:ca=30;41:tw=30;42:ow=34;42:st=37;44:ex=01;32:*.tar=01;31:*.tgz=01;31:*.arj=01;31:*.taz=01;31:*.lzh=01;31:*.lzma=01;31:*.tlz=01;31:*.txz=01;31:*.zip=01;31:*.z=01;31:*.Z=01;31:*.dz=01;31:*.gz=01;31:*.lz=01;31:*.xz=01;31:*.bz2=01;31:*.tbz=01;31:*.tbz2=01;31:*.bz=01;31:*.tz=01;31:*.deb=01;31:*.rpm=01;31:*.jar=01;31:*.rar=01;31:*.ace=01;31:*.zoo=01;31:*.cpio=01;31:*.7z=01;31:*.rz=01;31:*.jpg=01;35:*.jpeg=01;35:*.gif=01;35:*.bmp=01;35:*.pbm=01;35:*.pgm=01;35:*.ppm=01;35:*.tga=01;35:*.xbm=01;35:*.xpm=01;35:*.tif=01;35:*.tiff=01;35:*.png=01;35:*.svg=01;35:*.svgz=01;35:*.mng=01;35:*.pcx=01;35:*.mov=01;35:*.mpg=01;35:*.mpeg=01;35:*.m2v=01;35:*.mkv=01;35:*.ogm=01;35:*.mp4=01;35:*.m4v=01;35:*.mp4v=01;35:*.vob=01;35:*.qt=01;35:*.nuv=01;35:*.wmv=01;35:*.asf=01;35:*.rm=01;35:*.rmvb=01;35:*.flc=01;35:*.avi=01;35:*.fli=01;35:*.flv=01;35:*.gl=01;35:*.dl=01;35:*.xcf=01;35:*.xwd=01;35:*.yuv=
01;35:*.cgm=01;35:*.emf=01;35:*.axv=01;35:*.anx=01;35:*.ogv=01;35:*.ogx=01;35:*.aac=01;36:*.au=01;36:*.flac=01;36:*.mid=01;36:*.midi=01;36:*.mka=01;36:*.mp3=01;36:*.mpc=01;36:*.ogg=01;36:*.ra=01;36:*.wav=01;36:*.axa=01;36:*.oga=01;36:*.spx=01;36:*.xspf=01;36:
> > > > > > SSH_AUTH_SOCK=/tmp/keyring-EFFnHh/socket.ssh
> > > > > > GNOME_KEYRING_SOCKET=/tmp/keyring-EFFnHh/socket
> > > > > > ftp_proxy=ftp://proxy.du.ac.in:3128/
> > > > > > FTP_PROXY=ftp://proxy.du.ac.in:3128/
> > > > > > USERNAME=root
> > > > > > SESSION_MANAGER=local/unix:.
> > > > > > /tmp/.ICE-unix/2202,unix/unix:/tmp/.ICE-unix/2202
> > > > > > ALL_PROXY=socks://proxy.du.ac.in:3128/
> > > > > > all_proxy=socks://proxy.du.ac.in:3128/
> > > > > >
> > > > > >
> > > >
> > PATH=/usr/lib64/qt-3.3/bin:/usr/local/sbin:/usr/sbin:/sbin:/usr/local/bin:/usr/bin:/bin:/root/bin:/root/bin
> > > > > > MAIL=/var/spool/mail/root
> > > > > > DESKTOP_SESSION=gnome
> > > > > > QT_IM_MODULE=xim
> > > > > > PWD=/root
> > > > > > XMODIFIERS=.im=none
> > > > > > GDM_KEYBOARD_LAYOUT=us
> > > > > > GNOME_KEYRING_PID=2193
> > > > > > KDE_IS_PRELINKED=1
> > > > > > LANG=en_US.UTF-8
> > > > > > GDM_LANG=en_US.UTF-8
> > > > > > KDEDIRS=/usr
> > > > > > https_proxy=https://proxy.du.ac.in:3128/
> > > > > > HTTPS_PROXY=https://proxy.du.ac.in:3128/
> > > > > > GDMSESSION=gnome
> > > > > > HISTCONTROL=ignoredups
> > > > > > SSH_ASKPASS=/usr/libexec/openssh/gnome-ssh-askpass
> > > > > > SHLVL=2
> > > > > > HOME=/root
> > > > > > no_proxy=localhost,127.0.0.0/8
> > > > > > GNOME_DESKTOP_SESSION_ID=this-is-deprecated
> > > > > > HTTP_PROXY=http://proxy.du.ac.in:3128/
> > > > > > LOGNAME=root
> > > > > > CVS_RSH=ssh
> > > > > > QTLIB=/usr/lib64/qt-3.3/lib
> > > > > >
> > > > > >
> > > >
> > DBUS_SESSION_BUS_ADDRESS=unix:abstract=/tmp/dbus-CZWCSGcpt1,guid=ead8ed036f3d4b1b54e145fa00000036
> > > > > > LESSOPEN=|/usr/bin/lesspipe.sh %s
> > > > > > WINDOWPATH=1
> > > > > > DISPLAY=:0.0
> > > > > > AMBERHOME=/home/cshrc/amber9/
> > > > > > G_BROKEN_FILENAMES=1
> > > > > > COLORTERM=gnome-terminal
> > > > > > XAUTHORITY=/var/run/gdm/auth-for-root-5FycYT/database
> > > > > > _=/usr/bin/env
> > > > > >
> > > > > >
> > > > > >
> > > > > > regards,
> > > > > > Souvik Sur
> > > > > > Ph. D. Student
> > > > > > Department Of Chemistry
> > > > > > University Of Delhi
> > > > > > India
> > > > > >
> > > > > >
> > > > > >
> > > > > >
> > > > > > > Date: Wed, 8 Jun 2011 15:17:32 +0800
> > > > > > > From: teonghan.gmail.com
> > > > > > > To: amber.ambermd.org
> > > > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > > > >
> > > > > > > Hi,
> > > > > > >
> > > > > > > Can you type env and post your output here after you export
> > > > AMBERHOME?
> > > > > > >
> > > > > > > Thanks.
> > > > > > >
> > > > > > > On Wed, Jun 8, 2011 at 3:10 PM, souvik sur <
> > souviksur.hotmail.com>
> > > > > > wrote:
> > > > > > >
> > > > > > > >
> > > > > > > > Dear sir,
> > > > > > > > how can I export AMBERHOME variable because in every time I
> > export
> > > > it
> > > > > > but
> > > > > > > > still it was not working and what can I write in home
> > directory's
> > > > > > .bashrc
> > > > > > > > file for exporting amberhome environment variables?
> > > > > > > >
> > > > > > > > regards,
> > > > > > > > Souvik Sur
> > > > > > > > Ph. D. Student
> > > > > > > > Department Of Chemistry
> > > > > > > > University Of Delhi
> > > > > > > > India
> > > > > > > >
> > > > > > > >
> > > > > > > >
> > > > > > > >
> > > > > > > > > Date: Wed, 8 Jun 2011 14:47:29 +0800
> > > > > > > > > From: teonghan.gmail.com
> > > > > > > > > To: amber.ambermd.org
> > > > > > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > > > > > >
> > > > > > > > > Hi,
> > > > > > > > >
> > > > > > > > > Most likely you did not export the AMBERHOME environment
> > > > variable. Do
> > > > > > > > that
> > > > > > > > > by typing "export AMBERHOME=/path_to_your_amber_directory/"
> > in
> > > > > > terminal.
> > > > > > > > A
> > > > > > > > > more permanent way of doing this is to write that command in
> > your
> > > > > > home
> > > > > > > > > directory's .bashrc file.
> > > > > > > > >
> > > > > > > > > Thanks.
> > > > > > > > >
> > > > > > > > > On Wed, Jun 8, 2011 at 2:42 PM, souvik sur <
> > > > souviksur.hotmail.com>
> > > > > > > > wrote:
> > > > > > > > >
> > > > > > > > > >
> > > > > > > > > > Dear sir
> > > > > > > > > > I have successfully installed AmberTools 1.5, now how can I
> > > > know
> > > > > > Amber
> > > > > > > > is
> > > > > > > > > > running rightly as the xleap and tleap command are still
> > not
> > > > > > running
> > > > > > > > and
> > > > > > > > > > show commands not found and show the following error after
> > > > giving
> > > > > > the
> > > > > > > > > > command make test.serial:
> > > > > > > > > >
> > > > > > > > > > cd leap; ./Run.tleap
> > > > > > > > > > Error - must define AMBERHOME environment variable
> > > > > > > > > > make: *** [test.leap] Error 1
> > > > > > > > > >
> > > > > > > > > >
> > > > > > > > > >
> > > > > > > > > > regards,
> > > > > > > > > > Souvik Sur
> > > > > > > > > > Ph. D. Student
> > > > > > > > > > Department Of Chemistry
> > > > > > > > > > University Of Delhi
> > > > > > > > > > India
> > > > > > > > > >
> > > > > > > > > >
> > > > > > > > > >
> > > > > > > > > >
> > > > > > > > > > > Date: Tue, 7 Jun 2011 09:11:36 -0600
> > > > > > > > > > > From: jason.swails.gmail.com
> > > > > > > > > > > To: amber.ambermd.org
> > > > > > > > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > > > > > > > >
> > > > > > > > > > > There's no need to use tleap from amber9 when you can
> > install
> > > > > > > > AmberTools
> > > > > > > > > > 1.5
> > > > > > > > > > > (in which this bug is fixed) for free.
> > > > > > > > > > >
> > > > > > > > > > > HTH,
> > > > > > > > > > > Jason
> > > > > > > > > > >
> > > > > > > > > > > On Tue, Jun 7, 2011 at 4:54 AM, TH Chew <
> > teonghan.gmail.com>
> > > > > > wrote:
> > > > > > > > > > >
> > > > > > > > > > > > Hi,
> > > > > > > > > > > >
> > > > > > > > > > > > I posted the same problem yesterday and Jason replied.
> > It
> > > > is
> > > > > > most
> > > > > > > > > > likely a
> > > > > > > > > > > > bug related to 64bit OS. This morning, I manage to get
> > it
> > > > > > compile
> > > > > > > > with
> > > > > > > > > > test
> > > > > > > > > > > > running fine on a 32bit OS. Can you post what you have
> > in
> > > > > > > > > > test/ff94_prm.out
> > > > > > > > > > > > here?
> > > > > > > > > > > >
> > > > > > > > > > > > Thanks.
> > > > > > > > > > > >
> > > > > > > > > > > > On Tue, Jun 7, 2011 at 6:44 PM, souvik sur <
> > > > > > souviksur.hotmail.com>
> > > > > > > > > > wrote:
> > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > > Dear sir,
> > > > > > > > > > > > >
> > > > > > > > > > > > > Here is the following error in test of "leap"
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > > [root.nis test]# make test.leap
> > > > > > > > > > > > > cd leap; ./Run.tleap
> > > > > > > > > > > > >
> > > > > > > > > > > > > Running leap tests on ./tleap -> ../../exe/teLeap
> > > > > > > > > > > > >
> > > > > > > > > > > > > building force field libraries:
> > > > > > > > > > > > >
> > > > > > > > > > > > > '91 ff..
> > > > > > > > > > > > >
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_amino91.lib with
> > > > > > all_amino91.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_aminoct91.lib with
> > > > > > > > all_aminoct91.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > > hello sir,
> > > > > > > > > > > > >
> > > > > > > > > > > > > Here is the following error :
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_aminont91.lib with
> > > > > > > > all_aminont91.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_nucleic91.lib with
> > > > > > > > all_nucleic91.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/ions91.lib with ions91.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > >
> > > > > > > > > > > > > '94 ff..
> > > > > > > > > > > > >
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_amino94.lib with
> > > > > > all_amino94.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_aminoct94.lib with
> > > > > > > > all_aminoct94.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_aminont94.lib with
> > > > > > > > all_aminont94.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/all_nucleic94.lib with
> > > > > > > > all_nucleic94.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > > diffing ../../dat/leap/lib/ions94.lib with ions94.lib
> > > > > > > > > > > > > PASSED
> > > > > > > > > > > > >
> > > > > > ==============================================================
> > > > > > > > > > > > >
> > > > > > > > > > > > > loadpdb and saveamberparm: 94 ff..
> > > > > > > > > > > > >
> > > > > > > > > > > > > ./Run.tleap: Program error in leap
> > > > > > > > > > > > > make: *** [test.leap] Error 1
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > > regards,
> > > > > > > > > > > > > Souvik Sur
> > > > > > > > > > > > > Ph. D. Student
> > > > > > > > > > > > > Department Of Chemistry
> > > > > > > > > > > > > University Of Delhi
> > > > > > > > > > > > > India
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > >
> > > > > > > > > > > > > > Date: Tue, 7 Jun 2011 18:11:23 +0800
> > > > > > > > > > > > > > From: teonghan.gmail.com
> > > > > > > > > > > > > > To: amber.ambermd.org
> > > > > > > > > > > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > Hi Souvik,
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > I actually come across this yesterday. Did you
> > compile
> > > > in a
> > > > > > > > 64bit
> > > > > > > > > > Linux
> > > > > > > > > > > > > OS?
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > Thanks.
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > On Tue, Jun 7, 2011 at 6:08 PM, souvik sur <
> > > > > > > > souviksur.hotmail.com>
> > > > > > > > > > > > > wrote:
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > sir,
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > Just now i have installed amber9 in linux but
> > when i
> > > > run
> > > > > > make
> > > > > > > > > > > > > > > "test.serial",there showed an error in loading
> > > > "leap":
> > > > > > > > > > > > > > > loadpdb and saveamberparm: 94 ff..
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > ./Run.tleap: Program error in leap
> > > > > > > > > > > > > > > make: *** [test.leap] Error 1
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > what can I do for it?
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > regards,
> > > > > > > > > > > > > > > Souvik Sur
> > > > > > > > > > > > > > > Ph. D. Student
> > > > > > > > > > > > > > > Department Of Chemistry
> > > > > > > > > > > > > > > University Of Delhi
> > > > > > > > > > > > > > > India
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > > > _______________________________________________
> > > > > > > > > > > > > > > AMBER mailing list
> > > > > > > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > > > > > > >
> > > > > > > > > > > > > >
> > > > > > > > > > > > > >
> > > > > > > > > > > > > >
> > > > > > > > > > > > > > --
> > > > > > > > > > > > > > Regards,
> > > > > > > > > > > > > > THChew
> > > > > > > > > > > > > > _______________________________________________
> > > > > > > > > > > > > > AMBER mailing list
> > > > > > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > > > > >
> > > > > > > > > > > > > _______________________________________________
> > > > > > > > > > > > > AMBER mailing list
> > > > > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > > > > >
> > > > > > > > > > > >
> > > > > > > > > > > >
> > > > > > > > > > > >
> > > > > > > > > > > > --
> > > > > > > > > > > > Regards,
> > > > > > > > > > > > THChew
> > > > > > > > > > > > _______________________________________________
> > > > > > > > > > > > AMBER mailing list
> > > > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > > > >
> > > > > > > > > > >
> > > > > > > > > > >
> > > > > > > > > > >
> > > > > > > > > > > --
> > > > > > > > > > > Jason M. Swails
> > > > > > > > > > > Quantum Theory Project,
> > > > > > > > > > > University of Florida
> > > > > > > > > > > Ph.D. Candidate
> > > > > > > > > > > 352-392-4032
> > > > > > > > > > > _______________________________________________
> > > > > > > > > > > AMBER mailing list
> > > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > >
> > > > > > > > > > _______________________________________________
> > > > > > > > > > AMBER mailing list
> > > > > > > > > > AMBER.ambermd.org
> > > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > > > >
> > > > > > > > >
> > > > > > > > >
> > > > > > > > >
> > > > > > > > > --
> > > > > > > > > Regards,
> > > > > > > > > THChew
> > > > > > > > > _______________________________________________
> > > > > > > > > AMBER mailing list
> > > > > > > > > AMBER.ambermd.org
> > > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > >
> > > > > > > > _______________________________________________
> > > > > > > > AMBER mailing list
> > > > > > > > AMBER.ambermd.org
> > > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > > >
> > > > > > >
> > > > > > >
> > > > > > >
> > > > > > > --
> > > > > > > Regards,
> > > > > > > THChew
> > > > > > > _______________________________________________
> > > > > > > AMBER mailing list
> > > > > > > AMBER.ambermd.org
> > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >
> > > > > > _______________________________________________
> > > > > > AMBER mailing list
> > > > > > AMBER.ambermd.org
> > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > >
> > > > >
> > > > >
> > > > >
> > > > > --
> > > > > Regards,
> > > > > THChew
> > > > > _______________________________________________
> > > > > AMBER mailing list
> > > > > AMBER.ambermd.org
> > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >
> > > > _______________________________________________
> > > > AMBER mailing list
> > > > AMBER.ambermd.org
> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >
> > >
> > >
> > >
> > > --
> > > Regards,
> > > THChew
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Regards,
> THChew
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 10 2011 - 03:00:02 PDT
