User Tools

Site Tools


cluster:161

Warning: Undefined array key -1 in /usr/share/dokuwiki/inc/html.php on line 1458

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
Next revision
Previous revision
cluster:161 [2018/09/20 09:29]
hmeij07
cluster:161 [2020/07/16 13:16] (current)
hmeij07
Line 4: Line 4:
 ==== lammps-11Aug17 ==== ==== lammps-11Aug17 ====
  
-ok, new version much easier+lammps-11Aug17 (n78)\\ 
 +and now lammps-22Aug18 (n33-n37)\\ 
 +and now lammps-5Jun19 (microway)\\
  
-Note:  +Update:  
-  * n78/gtx1080 (centos7, mpich3/mpic++, cuda 8) +  * n78/gtx1080 lammps 11aug17 (centos7, mpich3/mpic++, cuda 8/sm_61, /usr/local) 
-  * n37/k20 (centos7, openmpi 1.8.4/mpic++, cuda 9.2)  +      * [[cluster:164|GTX 1080 Ti]] 
-  * n33/k20 (centos6, mvapich2/mpicxx, cuda 5)+  * n37/k20 lammps 22aug18 (centos7, openmpi 1.8.4/mpic++, cuda 9.2/sm_35, /usr/local 
 +      * [[cluster:173|K20 Redo Usage]] 
 +  * n33/k20 lammps 11aug17 + 22aug18 (centos6, openmpi 1.8.4, cuda 5/sm35, /share/apps/CENTOS6) 
 +      * this page 
 +  * n33/k20 older lammps (centos6, mvapich, cuda 5/sm_??, /cm/shared/apps) 
 +      * /home/hmeij/sharptail/run.gpu or gromacs.sub files
  
-<code>+ --- //[[hmeij@wesleyan.edu|Henk]] 2018/09/20 09:30//
  
 +<code>
 +N78
 # devel packages for libjpeg, blas, lapack, boost # devel packages for libjpeg, blas, lapack, boost
  
Line 25: Line 34:
 # edits # edits
 CUDA_HOME = /usr/local/cuda CUDA_HOME = /usr/local/cuda
-# best fitting ARCH for GTX 1080 with CUDA 8+ 
 +# best fitting ARCH for GTX 1080 with CUDA 8+
 CUDA_ARCH = -arch=sm_61 CUDA_ARCH = -arch=sm_61
 +# best fitting ARCH for P100 with CUDA 8+
 +CUDA_ARCH = -arch=sm_60
 +# best fitting ARCH for RTX/T4 with CUDA 10+
 +CUDA_ARCH = -arch=sm_75
 http://arnon.dk/matching-sm-architectures-arch-and-gencode-for-various-nvidia-cards/ http://arnon.dk/matching-sm-architectures-arch-and-gencode-for-various-nvidia-cards/
-for GTX1080 on n78+ 
 +# generate DOUBLE_DOUBLE (case matters)
 CUDA_PRECISION = -D_DOUBLE_DOUBLE CUDA_PRECISION = -D_DOUBLE_DOUBLE
 make -f Makefile.linux.double make -f Makefile.linux.double
Line 42: Line 57:
 JPG_LIB =       -ljpeg JPG_LIB =       -ljpeg
  
 +
 +make purge
 make yes-rigid make yes-rigid
 make yes-gpu make yes-gpu
Line 49: Line 66:
 make yes-misc make yes-misc
 make yes-molecule make yes-molecule
 +make yes-user-omp
 +make package-update
 +
 which mpicxx which mpicxx
 make mpi make mpi
Line 54: Line 74:
  
 # repeat from scratch for SINGLE_SINGLE and SINGLE_DOUBLE # repeat from scratch for SINGLE_SINGLE and SINGLE_DOUBLE
 +# different makefiles same edits
  
  
Line 73: Line 94:
 <code> <code>
  
-on n33, a gpu node+N33, a gpu node
  
-  mkdir /tmp/laamps; cd !$+  mkdir /tmp/lammps; cd !$
   gunzip lammps-stable.tar.gz    gunzip lammps-stable.tar.gz 
   tar xvf lammps-stable.tar    tar xvf lammps-stable.tar 
Line 107: Line 128:
    cd ..    cd ..
    #no cp MAKE/Makefile.serial MAKE/Makefile.serial_icc      #no cp MAKE/Makefile.serial MAKE/Makefile.serial_icc  
-   # edit MAKE/MAkefile.serial+    
 +   add compiler flag (centos7, 2020: -std=c++11) 
 +    
 +   # edit MAKE/Makefile.serial
    # leave gcc++  icc/icpc -DLAMMPS_JPEG for LMP_INC    # leave gcc++  icc/icpc -DLAMMPS_JPEG for LMP_INC
    # JPG_INC =   -I/usr/include    # JPG_INC =   -I/usr/include
Line 188: Line 212:
 # need both /cm/shared... and /cm/local ... # need both /cm/shared... and /cm/local ...
  
-# the malaysan approach also works, see install file+# the malaysian approach also works, see install file
  
  
cluster/161.1537450192.txt.gz · Last modified: 2018/09/20 09:29 by hmeij07