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cluster:161 [2019/08/05 12:25]
hmeij07 [lammps-11Aug17]
cluster:161 [2020/07/16 13:16] (current)
hmeij07
Line 4: Line 4:
 ==== lammps-11Aug17 ==== ==== lammps-11Aug17 ====
  
-and now lammps-22Aug18+lammps-11Aug17 (n78)\\ 
 +and now lammps-22Aug18 (n33-n37)\\ 
 +and now lammps-5Jun19 (microway)\\
  
 Update:  Update: 
Line 32: 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 49: Line 57:
 JPG_LIB =       -ljpeg JPG_LIB =       -ljpeg
  
 +
 +make purge
 make yes-rigid make yes-rigid
 make yes-gpu make yes-gpu
Line 56: Line 66:
 make yes-misc make yes-misc
 make yes-molecule make yes-molecule
- +make yes-user-omp 
-make purge +make package-update
-make package-upate+
  
 which mpicxx which mpicxx
Line 65: 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 118: 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
cluster/161.1565022357.txt.gz · Last modified: 2019/08/05 12:25 by hmeij07