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cluster:161 [2019/08/05 16:25] hmeij07 [lammps-11Aug17] |
cluster:161 [2020/07/16 17:16] (current) hmeij07 |
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==== lammps-11Aug17 ==== | ==== lammps-11Aug17 ==== | ||
- | and now lammps-22Aug18 | + | lammps-11Aug17 (n78)\\ |
+ | and now lammps-22Aug18 | ||
+ | and now lammps-5Jun19 (microway)\\ | ||
Update: | Update: | ||
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# edits | # edits | ||
CUDA_HOME = / | CUDA_HOME = / | ||
- | # 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:// | http:// | ||
- | 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 | ||
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JPG_LIB = | JPG_LIB = | ||
+ | |||
+ | make purge | ||
make yes-rigid | make yes-rigid | ||
make yes-gpu | make yes-gpu | ||
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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 | ||
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# repeat from scratch for SINGLE_SINGLE and SINGLE_DOUBLE | # repeat from scratch for SINGLE_SINGLE and SINGLE_DOUBLE | ||
+ | # different makefiles same edits | ||
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cd .. | cd .. | ||
#no cp MAKE/ | #no cp MAKE/ | ||
- | # 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 = | # JPG_INC = |