支撑软件

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Boost

Name	Path	Module
Boost 1.58.0	/fs00/software/boost/1.58.0	boost/1.58.0
Boost 1.72.0	/fs00/software/boost/1.72.0	boost/1.72.0

CMake

Modulefile:

Modulefile:

Name	Path	Module
CMake 3.11.4/3.16.34	/fs00/software/cmake/3.11.4/	cmake/3.11.4
CMake 3.16.3	/fs00/software/cmake/3.16.3/	cmake/3.16.3

Grace

Modulefile:

Name	Path	Module
Grace 5.1.25	/fs00/software/grace/5.1.25	grace/5.1.25

HDF5

Modulefile:

Name	Path	Module
HDF5 1.10.5	/fs00/software/hdf5/1.10.5	hdf5/1.10.5

libpng 1.5.26

/fs00/software/libpng/1.5.26 Modulefile: libpng/1.5.26

NetCDF-C 4.7.0

/fs00/software/netcdf/c-4.7.0 Modulefile: netcdf/c-4.7.0

OVITO 2.9.0

/fs00/software/ovito/2.9.0

PCRE 8.39

/fs00/software/pcre/8.39 Modulefile: pcre/8.39

Qt 5.5.1/5.11.1

/fs00/software/qt/5.5.1 Modulefile: qt/5.5.1

/fs00/software/qt/5.11.1 Modulefile: qt/5.11.1

Spglib 1.9.0/1.9.9 (OpenMP)

/fs00/software/spglib/1.9.0-gcc5.2.0 Modulefile: spglib/1.9.0-gcc5.2.0 依赖gcc/5.2.0

/fs00/software/spglib/1.9.9 Modulefile: spglib/1.9.9

Tcl/Tk 8.6.4

Modulefile:

• tcl/8.6.4
• tcl/8.6.4-ips2016u2 依赖ips/2016u2

依赖ips/2016u2且至少需要Haswell微架构

Modulefile:

依赖ips/2017u2

Name	Compiler	Path	Module
Tcl/Tk 8.6.4		/fs00/software/tcl/8.6.4	tcl/8.6.4
Tcl/Tk 8.6.4	Intel Parallel Studio XE 2016 Update 2	/fs00/software/tcl/8.6.4-ips2016u2	tcl/8.6.4-ips2016u2
Tcl/Tk 8.6.4	Intel Parallel Studio XE 2016 Update 2	/fs00/software/tcl/8.6.4-ips2016u2-avx2	tcl/8.6.4-ips2016u2-avx2
Tcl/Tk 8.6.6	Intel Parallel Studio XE 2017 Update 2	/fs00/software/tcl/8.6.6-ips2017u2	tcl/8.6.6-ips2017u2

Vim 8.1

/fs00/software/vim/8.1 Modulefile: vim/8.1

Vim 8.2.0488

/fs00/software/vim/8.2.0488 Modulefile: vim/8.2.0488

zlib 1.2.11

/fs00/software/zlib/1.2.11 Modulefile: zlib/1.2.11