Difference between revisions of "Cluster compilations"
From Rizzo_Lab
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| − | Every time a member of the Rizzo Group compiles a program on Cluster we should write a README file that documents | + | Every time a member of the Rizzo Group compiles a program on Cluster we should write a README file that documents details about the compilation. The content of this README file should then be inserted into this wiki with the date of install and the path of the code and executable programs. |
CODE TO BE COMPILED: NAMD | CODE TO BE COMPILED: NAMD | ||
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Compiled on 2010/09/14 | Compiled on 2010/09/14 | ||
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Tested on 2010/09/14 and 2010/09/15 | Tested on 2010/09/14 and 2010/09/15 | ||
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| + | Path: /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11 | ||
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| + | executable: /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11/bin | ||
## Decriptin of the compilation | ## Decriptin of the compilation | ||
## This was complied by Trent Balius and Sundipto Mukherjee on 2010/09/14 | ## This was complied by Trent Balius and Sundipto Mukherjee on 2010/09/14 | ||
## Runing of the amber test and a rizzo lab bench mark imply that sander.MPI is working (2010/09/15). | ## Runing of the amber test and a rizzo lab bench mark imply that sander.MPI is working (2010/09/15). | ||
| + | ## | ||
| + | ## Because we want to run on our nodes we preform the comulation them, by doing the following: | ||
| + | ## qsub -I -l nodes=1:ppn=2 -l walltime=12:00:00 | ||
## | ## | ||
## ### MAKE SERIAL | ## ### MAKE SERIAL | ||
Latest revision as of 15:44, 15 September 2010
Every time a member of the Rizzo Group compiles a program on Cluster we should write a README file that documents details about the compilation. The content of this README file should then be inserted into this wiki with the date of install and the path of the code and executable programs.
CODE TO BE COMPILED: NAMD
AMBER11
Compiled on 2010/09/14
Tested on 2010/09/14 and 2010/09/15
Path: /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11
executable: /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11/bin
## Decriptin of the compilation ## This was complied by Trent Balius and Sundipto Mukherjee on 2010/09/14 ## Runing of the amber test and a rizzo lab bench mark imply that sander.MPI is working (2010/09/15). ## ## Because we want to run on our nodes we preform the comulation them, by doing the following: ## qsub -I -l nodes=1:ppn=2 -l walltime=12:00:00 ## ## ### MAKE SERIAL ## ## cd /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11 ## ## cd AmberTools/src/ ## ## ./configure --help ## ## ./configure -noX11 -nobintraj intel ## ## cd /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11 ## cd src/ ## make serial ## ## #### MAKE PARALLEL ## ## cd $AMBERHOME/AmberTools/src ## make clean ## ## ./configure -noX11 -nobintraj -mpi intel ## ## make parallel ## ## cd ../../src/ ## ## pwd ## /sbhome0/balius/programs/amber11.2010.09.14.openmpi.intel/amber11/src ## ## make parallel ## ## ## While compiling amber 11 serial, /bin/cpp was used (gnu) instead of intel icpc, although we used intel compilers for everything else. ## ## Warning while configuring parallel/mpi/intel ambertools ## ## Testing mixed C/Fortran compilation: ## icc -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -c -o testp.c.o testp.c ## ifort -O0 -c -o testp.f.o testp.f ## icc -o testp testp.c.o testp.f.o -L/software1/intel/Compiler/11.1/069/lib/intel64/ -lifport -lifcore -lsvml ## /software1/intel/Compiler/11.1/069/lib/intel64/libimf.so: warning: warning: feupdateenv is not implemented and will always fail ## OK ## ##
