2017. 3. 23. 17:40 나의일 관련/Linux
Tachyon2 시스템에 NAMD 2.12 설치 테스트
1. intel-2015 컴파일러 mvapich2-2.1 조합
module load compiler/intel-2015 mpi/mvapich2-2.1
tar xvzf NAMD_2.12_Source.tar.gz
cd NAMD_2.12_Source
tar xvf charm-6.7.1.tar
cd charm-6.7.1
./build charm++ mpi-linux-x86_64 mpicxx ifort --with-production
cd ..
vi arch/Linux-x86_64-icc.arch
###########################
- 변경 전 : FLOATOPTS = -ip -axAVX
- 변경 후 : FLOATOPTS = -ip
###########################
./config Linux-x86_64-icc --charm-base ./charm-6.7.1 \
--charm-arch mpi-linux-x86_64-ifort-mpicxx \
--with-tcl --tcl-prefix /applic/common/TCL/8.5.9 \
--with-mkl --mkl-prefix /applic/compilers/intel/2015/mkl
cd Linux-x86_64-icc
make
2. intel-2013 컴파일러 mvapich2-2.0 조합
module load compiler/intel-2013 mpi/mvapich2-2.0
tar xvzf NAMD_2.12_Source.tar.gz
cd NAMD_2.12_Source
tar xvf charm-6.7.1.tar
cd charm-6.7.1
./build charm++ mpi-linux-x86_64 mpicxx ifort --with-production
cd ..
vi arch/Linux-x86_64-icc.arch
###########################
- 변경 전 : FLOATOPTS = -ip -axAVX
- 변경 후 : FLOATOPTS = -ip
###########################
./config Linux-x86_64-icc --charm-base ./charm-6.7.1 \
--charm-arch mpi-linux-x86_64-ifort-mpicxx \
--with-tcl --tcl-prefix /applic/common/TCL/8.5.9 \
--with-mkl --mkl-prefix /applic/compilers/intel/2013/mkl
cd Linux-x86_64-icc
make
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