[ase-users] about Dacapo installation

[Marcin Dulak]

Hi,

On 11/14/2014 01:45 AM, Bing Huang wrote:
> Hi, ase users
> Does anybody know how to set MKL library in Dacapo-2.7.7 Makefile? The 
> original suggestion is
dacapo 2.7.7 is very old, 2.7.16 is the last and final release.
Linking intel mkl changes from version to version, see 
https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor

Best regards,

Marcin
>
> setenv BLASLAPACK '-L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ia64 -lguide -lpthread -lmkl'
>
> however, the MKL library installed in our machine is mkl 11.2, and the 
> files located in that similar dir are listed below:
>
> libmkl_avx2.so                  libmkl_gf_ilp64.a libmkl_pgi_thread.a
> libmkl_avx.so                   libmkl_gf_ilp64.so libmkl_pgi_thread.so
> libmkl_blacs_ilp64.a            libmkl_gf_lp64.a libmkl_rt.so
> libmkl_blacs_intelmpi_ilp64.a   libmkl_gf_lp64.so libmkl_scalapack_ilp64.a
> libmkl_blacs_intelmpi_ilp64.so  libmkl_gnu_thread.a 
> libmkl_scalapack_ilp64.so
> libmkl_blacs_intelmpi_lp64.a    libmkl_gnu_thread.so 
> libmkl_scalapack_lp64.a
> libmkl_blacs_intelmpi_lp64.so   libmkl_intel_ilp64.a 
> libmkl_scalapack_lp64.so
> libmkl_blacs_lp64.a             libmkl_intel_ilp64.so libmkl_sequential.a
> libmkl_blacs_openmpi_ilp64.a    libmkl_intel_lp64.a libmkl_sequential.so
> libmkl_blacs_openmpi_lp64.a     libmkl_intel_lp64.so libmkl_vml_avx2.so
> libmkl_blacs_sgimpt_ilp64.a     libmkl_intel_sp2dp.a libmkl_vml_avx.so
> libmkl_blacs_sgimpt_lp64.a      libmkl_intel_sp2dp.so libmkl_vml_cmpt.so
> libmkl_blas95_ilp64.a           libmkl_intel_thread.a libmkl_vml_def.so
> libmkl_blas95_lp64.a            libmkl_intel_thread.so libmkl_vml_mc2.so
> libmkl_cdft_core.a              libmkl_lapack95_ilp64.a libmkl_vml_mc3.so
> libmkl_cdft_core.so             libmkl_lapack95_lp64.a libmkl_vml_mc.so
> libmkl_core.a                   libmkl_mc3.so libmkl_vml_p4n.so
> libmkl_core.so                  libmkl_mc.so locale/
> libmkl_def.so                   libmkl_p4n.so
>
> quite different from the 9.0 version.
>
>
> Best regards,
> Bing
>
>
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