CMake Support for Blocked Pfaffian

issp-center-dev / mVMC

A numerical solver package for a wide range of quantum lattice models based on many-variable Variational Monte Carlo method

http://www.pasums.issp.u-tokyo.ac.jp/mvmc/en/

GNU General Public License v3.0

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CMake Support for Blocked Pfaffian #26

Closed xrq-phys closed 2 years ago

xrq-phys commented 2 years ago

Added CMake support to blocked Pfaffian update.
NOTE: Unlike the traditional in-place mVMCconfig.sh which builds BLIS locally, the CMake strategy downloads a system-specific prebuilt artifact from xrq-phys/blis@v0.8.1+arm.
CMake option PFAFFIAN_BLOCKED is created. If the option is set to OFF, no blocked-Pfaffian would be built. No BLIS artifact would be downloaded, either.
Configs in /config set PFAFFIAN_BLOCKED to ON except for apple.cmake (due to GitHub CI unavailability) and gcc.cmake (since it's more or less system-agnostic and the auto-detection is not guaranteed to always work).

One more thing done in this PR: User is able to use the environment variable VMC_BLOCK_UPDATE_SIZE to override the default block size of Pfaffian update. As this does not affect computational results, I didn't add it to readdef.c.

tmisawa commented 2 years ago

@xrq-phys thank you for your great efforts! I merged PR.

tmisawa commented 2 years ago

@xrq-phys I now checked and found that an error occurs in using cmake (not using PFAFFIAN_BLOCKED).

CMake Error at CMakeLists.txt:74 (add_subdirectory):
add_subdirectory given source "src/pfapack/fortran" which is not an
existing directory.

This may be caused by the incorrect link for pfapack. Could you check the origin of this error?

xrq-phys commented 2 years ago

I made Pfapack a submodule.

Sometimes git submodule update -r -i might fail to load due to clutters left inside the old directory. Could you try cleaning?

Best,

On Fri, Sep 24, 2021 at 9:09 Takahiro Misawa @.***> wrote:

@xrq-phys https://github.com/xrq-phys I now checked and found that an error occurs in using cmake (not using PFAFFIAN_BLOCKED).

CMake Error at CMakeLists.txt:74 (add_subdirectory): add_subdirectory given source "src/pfapack/fortran" which is not an existing directory.

This may be caused by the incorrect link for pfapack. Could you check the origin of this error?

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tmisawa commented 2 years ago

ok. Using git submodule update -r -i, cmake now works. thank you!

xrq-phys commented 2 years ago

Btw with this CMake+prebuilt BLIS, Fugaku compilation no longer needs submitting compile.sh.

Cheers. 😜