List of Open Source Software which can be built on Fugaku

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Spack will be used to manage open source software packages on Fugaku. Fugaku users can easily use pre-installed packages and built packages based on Spack recipes. The following list shows the results of building/compiling packages for aarch64 according to the Spack recipes. Note that the results in this list do not guarantee that each package will work properly. On the other hand, Fujitsu will provide the following packages compiled with Fujitsu compiler on Fugaku as "external" packages, of which Spack can be aware.
  • OpenJDK 11
  • Ruby 2.6.5 or later
  • Python2 2.7.15
  • Python3 3.6.8
  • Numpy 1.14.3
  • SciPy 1.0.0
  • Eclipse IDE 2019-09 R Packages
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autodock-gpu develop

Compiler Fujitsu Compiler 4.7.0
Result Dependency Error

Failed Reason

Failed to install dependency package :
------------------------------------------------
[+] /usr (external libxml2-2.9.7-sjfhie7egvrddyaxgsplnop3zfbkkssb)
==> Installing cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5
==> No binary for cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5 found: installing from source
==> Warning: Missing a source id for autodock-gpu@develop
==> Fetching https://developer.download.nvidia.com/compute/cuda/11.5.0/local_installers/cuda_11.5.0_495.29.05_linux_sbsa.run
==> No patches needed for cuda
==> cuda: Executing phase: 'install'
==> cuda: Successfully installed cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5
Fetch: 1m 8.24s. Build: 9m 47.79s. Total: 10m 56.04s.
[+] /vol0003/rccs-sdt/a01008/spack-all-test/env-20220225/spack/opt/spack/linux-rhel8-a64fx/fj-4.7.0/cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5
==> Installing autodock-gpu-develop-boxxfjkh4c3izhulkbmwkbj6wyel5d4b
==> No binary for autodock-gpu-develop-boxxfjkh4c3izhulkbmwkbj6wyel5d4b found: installing from source
==> No patches needed for autodock-gpu
==> autodock-gpu: Executing phase: 'edit'
==> autodock-gpu: Executing phase: 'build'
==> Error: ProcessError: Command exited with status 2:
'make' '-j16' 'DEVICE=CUDA' 'GPU_INCLUDE_PATH=/vol0003/rccs-sdt/a01008/spack-all-test/env-20220225/spack/opt/spack/linux-rhel8-a64fx/fj-4.7.0/cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5/include' 'GPU_LIBRARY_PATH=/vol0003/rccs-sdt/a01008/spack-all-test/env-20220225/spack/opt/spack/linux-rhel8-a64fx/fj-4.7.0/cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5/lib64' 'OVERLAP=OFF'

2 errors found in build log:
68 ptxas info : Used 13 registers, 4 bytes smem, 320 bytes cmem[0]
69 ptxas info : Compiling entry function '_Z23gpu_calc_initpop_kern
elPfS_' for 'sm_60'
70 ptxas info : Function properties for _Z23gpu_calc_initpop_kernel
PfS_
71 0 bytes stack frame, 0 bytes spill stores, 0 bytes spill loads
72 ptxas info : Used 48 registers, 3076 bytes smem, 336 bytes cmem[
0], 36 bytes cmem[2]
73 In file included from ./host/src/performdocking.cpp:34:
>> 74 ./host/inc/performdocking.h:32:10: fatal error: cuda.h: No such fil
e or directory
75 #include <cuda.h>
76 ^~~~~~~~
77 compilation terminated.
78 ptxas info : 0 bytes gmem, 288 bytes cmem[3]
79 ptxas info : Compiling entry function '_Z27gpu_gradient_minAdam_
kernelPfS_' for 'sm_61'
80 ptxas info : Function properties for _Z27gpu_gradient_minAdam_ke
rnelPfS_

...

129 g++ \
130 ./host/src/calcenergy.cpp ./host/src/getparameters.cpp ./host/src/m
ain.cpp ./host/src/miscellaneous.cpp ./host/src/performdocking.cpp
./host/src/processgrid.cpp ./host/src/processligand.cpp ./host/src/
processresult.cpp ./host/src/setup.cpp \
131 -std=c++11 -I./common -I./host/inc -I/vol0003/rccs-sdt/a01008/spack
-all-test/env-20220225/spack/opt/spack/linux-rhel8-a64fx/fj-4.7.0/c
uda-11.5.0-mz3tth6baxhidipkfoqini2wcriyefw5/include -I./cuda -L/vol
0003/rccs-sdt/a01008/spack-all-test/env-20220225/spack/opt/spack/li
nux-rhel8-a64fx/fj-4.7.0/cuda-11.5.0-mz3tth6baxhidipkfoqini2wcriyef
w5/lib64 -Wl,-rpath=/vol0003/rccs-sdt/a01008/spack-all-test/env-202
20225/spack/opt/spack/linux-rhel8-a64fx/fj-4.7.0/cuda-11.5.0-mz3tth
6baxhidipkfoqini2wcriyefw5/lib64: -DVERSION=\"v1.5.3\" \
132 kernels.o -lcurand -lcudart \
133 -o./bin/autodock_gpu_64wi \
134 -DGPU_DEVICE -DN64WI -O3
>> 135 make: *** [Makefile.Cuda:191: otool] Error 1
136 make: *** Waiting for unfinished jobs....

See build log for details:
/home/rccs-sdt/a01008/spack-stage/spack-stage-autodock-gpu-develop-boxxfjkh4c3izhulkbmwkbj6wyel5d4b/spack-build-out.txt


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