Re: [AMBER] Amber 12 installation on GPU

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 02 May 2013 07:24:01 -0700

Hi Shozeb,

To add to what Dave and Hannes replied a very useful tool (at least on
Redhat and Centos, not sure if Fedora has it) is yum. Whenever you hit a
situation with any code, not just AMBER, with a missing library etc you
can simply do:

yum whatprovides */libXdmcp.*

which will give something along the lines of:

libXdmcp-1.1.1-3.el6.i686 : X Display Manager Control Protocol library
Repo : sdsc
Matched from:
Other : libXdmcp.so.6



libXdmcp-1.1.1-3.el6.x86_64 : X Display Manager Control Protocol library
Repo : installed
Matched from:
Other : libXdmcp.so.6()(64bit)


So then as root you just do:


yum install libXdmcp-1.1.1-3

And you should be good to go.

All the best
Ross



On 5/1/13 11:51 PM, "Shozeb Haider" <shozeb.software.gmail.com> wrote:

>Hello all
>
>I am trying to do a simple serial installation of Amber 12 before I move
>ahead with parallel installation. I have C2075 Tesla cards with Fedora 18
>as my OS.
>
>I do all the updates and run ./configure gnu
>Then I make install
>
>It gives me the following error. I have searched the mailing lists in vain
>to find a solution to this message. Any help will be much appreciated.
>
>Many thanks
>
>Shozeb Haider
>Queen's University of Belfast
>
>gcc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -DBINTRAJ -DHASGZ
>-DHASBZ2 \
> -o xaLeap basics.o sysdepend.o stringExtra.o varArray.o getline.o
>avl.o pdb_format.o pdb_read.o pdb_sprntf.o pdb_sscanf.o pdb_write.o
>vector.o zMatrix.o sort.o bag.o hash.o dictionary.o database.o nVector.o
>ring.o matrix.o fortran.o displayer.o assoc.o atom.o byteArray.o
>collection.o container.o internal.o list.o loop.o molecule.o oDouble.o
>oInteger.o oString.o objekt.o parmSet.o residue.o unit.o unitio.o tripos.o
>graphUtil.o select.o amber.o build.o elements.o library.o chirality.o
>minimizer.o model.o parmLib.o pdbFile.o mol2File.o mol3File.o tools.o
>variables.o parser.o help.o helptext.o octree.o commands.o mathop.o
>block.o
>restraint.o hybrid.o xTank.o xAction.o x3d.o xBasics.o xaLeapc.o
>xaUnitEditor.o xaTable.o xaAtomTable.o XrawRegistr.o xaCommand.o
>xaTools.o xaAtomParmTable.o xaBondParmTable.o xaAngleParmTable.o
>xaParmEditor.o xaTorsionParmTable.o xaImproperParmTable.o
>xaHBondParmTable.o ../Xraw/libXaw.a ../Wc/libWcLeap.a ../Xpm/libXpm.a
>../Xmu/libXmu.a -L/usr/lib64 -L/usr/lib -lXt -lXext -lSM -lICE -lX11 -lXau
>-lXdmcp -lm -lpthread
>/bin/ld: cannot find -lXdmcp
>collect2: error: ld returned 1 exit status
>make[4]: *** [xaLeap] Error 1
>make[4]: Leaving directory
>`/usr/local/amber12/AmberTools/src/leap/src/leap'
>make[3]: *** [install_xleap] Error 2
>make[3]: Leaving directory `/usr/local/amber12/AmberTools/src/leap'
>make[2]: *** [install] Error 2
>make[2]: Leaving directory `/usr/local/amber12/AmberTools/src/leap'
>make[1]: *** [serial] Error 2
>make[1]: Leaving directory `/usr/local/amber12/AmberTools/src'
>make: *** [install] Error 2
>_______________________________________________
>AMBER mailing list
>AMBER.ambermd.org
>http://lists.ambermd.org/mailman/listinfo/amber



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Received on Thu May 02 2013 - 07:30:03 PDT
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