ISAC をテンプレートにして作成
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開始行:
本家様 [[http://sphire.mpg.de/wiki/doku.php?id=gpu_isac>+...
#code(nonumber){{
ISAC (Iterative Stable Alignment and Clustering) is a 2D ...
It sorts a given stack of cryo-EM particles into differen...
ISAC is based around iterations of alternating equal size...
(deepL様翻訳)
ISAC（Iterative Stable Alignment and Clustering）は、2次...
与えられた低温電子顕微鏡粒子のスタックを、ターゲットタン...
ISACは、等しいサイズのk-meansクラスタリングと2Dアライメン...
}}
SPHIRE のadd-onになるのですが、SPHIRE はeman2に含まれてい...
まずはISACのパッケージをダウンロードして展開しておきます
#code(nonumber){{
[root@rockylinux ~]# cd /apps/src/
[root@rockylinux src]# unzip /Public/em/gpu_isac_2.3.4.zip
[root@rockylinux src]# cd gpu_isac_2.3.4/
[root@rockylinux gpu_isac_2.3.4]# ls -lF
total 4
drwxr-xr-x. 3 root root 17 Feb 22 2021 bin/
drwxr-xr-x. 2 root root 26 Jan 16 15:50 checks/
drwxr-xr-x. 2 root root 102 Feb 22 2021 cuda/
drwxr-xr-x. 3 root root 32 Feb 22 2021 examples/
-rw-r--r--. 1 root root 1517 Jan 16 15:59 install.sh
[root@rockylinux gpu_isac_2.3.4]#
}}
ここにある install.sh をたたけばいいのですが、SPHIRE(eman...
#code(nonumber){{
[root@rockylinux ~]# module use /apps/modulefiles/
[root@rockylinux ~]# module load eman2/2.91
[root@rockylinux ~]# which mpirun
/apps/eman2.91/bin/mpirun
[root@rockylinux ~]# which python
/apps/eman2.91/bin/python
[root@rockylinux ~]#
}}
一応version確認をしてみます
#code(nonumber){{
[root@rockylinux ~]# e2version.py
EMAN 2.91 final ( GITHUB: 2021-03-08 11:36 - commit: 81ca...
Your Python version is: 3.7.9
[root@rockylinux ~]# sphire --version
SPHIRE v1.4.1 (GitHub: 2021-03-08 11:36)
[root@rockylinux ~]# export PATH=/usr/local/cuda/bin:$PATH
[root@rockylinux ~]# nvcc --version
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
[root@rockylinux ~]#
}}
それで
#code(nonumber){{
[root@rockylinux ~]# cd /apps/src/gpu_isac_2.3.4/
[root@rockylinux gpu_isac_2.3.4]#
[root@rockylinux gpu_isac_2.3.4]# bash ./install.sh
Checking libraries..
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
[rockylinux:33855] *** Process received signal ***
[rockylinux:33855] Signal: Segmentation fault (11)
[rockylinux:33855] Signal code: Address not mapped (1)
[rockylinux:33855] Failing at address: 0x5604233896a0
[rockylinux:33855] [ 0] /lib64/libpthread.so.0(+0x12cf0)[...
[rockylinux:33855] [ 1] /lib64/libc.so.6(+0xcbe57)[0x7f56...
[rockylinux:33855] [ 2] /lib64/libc.so.6(+0x66095)[0x7f56...
[rockylinux:33855] [ 3] /lib64/libc.so.6(_IO_vfprintf+0x2...
[rockylinux:33855] [ 4] /lib64/libc.so.6(__vasprintf_chk+...
[rockylinux:33855] [ 5] /lib64/libc.so.6(__asprintf_chk+0...
[rockylinux:33855] [ 6] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 7] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 8] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 9] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [10] python(_PyMethodDef_RawFastCallKe...
[rockylinux:33855] [11] python(_PyCFunction_FastCallKeywo...
[rockylinux:33855] [12] python(_PyEval_EvalFrameDefault+0...
[rockylinux:33855] [13] python(_PyFunction_FastCallKeywor...
[rockylinux:33855] [14] python(_PyEval_EvalFrameDefault+0...
[rockylinux:33855] [15] python(_PyEval_EvalCodeWithName+0...
[rockylinux:33855] [16] python(PyEval_EvalCodeEx+0x44)[0x...
[rockylinux:33855] [17] python(PyEval_EvalCode+0x1c)[0x56...
[rockylinux:33855] [18] python(+0x22cf14)[0x560141b12f14]
[rockylinux:33855] [19] python(PyRun_FileExFlags+0xa1)[0x...
[rockylinux:33855] [20] python(PyRun_SimpleFileExFlags+0x...
[rockylinux:33855] [21] python(+0x238655)[0x560141b1e655]
[rockylinux:33855] [22] python(_Py_UnixMain+0x3c)[0x56014...
[rockylinux:33855] [23] /lib64/libc.so.6(__libc_start_mai...
[rockylinux:33855] [24] python(+0x1dcff0)[0x560141ac2ff0]
[rockylinux:33855] *** End of error message ***
./install.sh: line 5: 33855 Segmentation fault (core...
Compiling CUDA code..
Configuring files for your system..
Linking GPU ISAC with the SPHIRE GUI..
GPU ISAC installation complete! Good luck with your proje...
[root@rockylinux gpu_isac_2.3.4]#
}}
と一応インストールは完了します. っが、その前段でエラーが...
こちらは別途
#code(nonumber){{
OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1...
}}
にて実行できます
下記はその実行例となります. これで確認ができたので前段で...
#code(nonumber){{
[root@rockylinux gpu_isac_2.3.4]# OMPI_ALLOW_RUN_AS_ROOT=...
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
[root@rockylinux gpu_isac_2.3.4]#
}}
終了行:
本家様 [[http://sphire.mpg.de/wiki/doku.php?id=gpu_isac>+...
#code(nonumber){{
ISAC (Iterative Stable Alignment and Clustering) is a 2D ...
It sorts a given stack of cryo-EM particles into differen...
ISAC is based around iterations of alternating equal size...
(deepL様翻訳)
ISAC（Iterative Stable Alignment and Clustering）は、2次...
与えられた低温電子顕微鏡粒子のスタックを、ターゲットタン...
ISACは、等しいサイズのk-meansクラスタリングと2Dアライメン...
}}
SPHIRE のadd-onになるのですが、SPHIRE はeman2に含まれてい...
まずはISACのパッケージをダウンロードして展開しておきます
#code(nonumber){{
[root@rockylinux ~]# cd /apps/src/
[root@rockylinux src]# unzip /Public/em/gpu_isac_2.3.4.zip
[root@rockylinux src]# cd gpu_isac_2.3.4/
[root@rockylinux gpu_isac_2.3.4]# ls -lF
total 4
drwxr-xr-x. 3 root root 17 Feb 22 2021 bin/
drwxr-xr-x. 2 root root 26 Jan 16 15:50 checks/
drwxr-xr-x. 2 root root 102 Feb 22 2021 cuda/
drwxr-xr-x. 3 root root 32 Feb 22 2021 examples/
-rw-r--r--. 1 root root 1517 Jan 16 15:59 install.sh
[root@rockylinux gpu_isac_2.3.4]#
}}
ここにある install.sh をたたけばいいのですが、SPHIRE(eman...
#code(nonumber){{
[root@rockylinux ~]# module use /apps/modulefiles/
[root@rockylinux ~]# module load eman2/2.91
[root@rockylinux ~]# which mpirun
/apps/eman2.91/bin/mpirun
[root@rockylinux ~]# which python
/apps/eman2.91/bin/python
[root@rockylinux ~]#
}}
一応version確認をしてみます
#code(nonumber){{
[root@rockylinux ~]# e2version.py
EMAN 2.91 final ( GITHUB: 2021-03-08 11:36 - commit: 81ca...
Your Python version is: 3.7.9
[root@rockylinux ~]# sphire --version
SPHIRE v1.4.1 (GitHub: 2021-03-08 11:36)
[root@rockylinux ~]# export PATH=/usr/local/cuda/bin:$PATH
[root@rockylinux ~]# nvcc --version
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
[root@rockylinux ~]#
}}
それで
#code(nonumber){{
[root@rockylinux ~]# cd /apps/src/gpu_isac_2.3.4/
[root@rockylinux gpu_isac_2.3.4]#
[root@rockylinux gpu_isac_2.3.4]# bash ./install.sh
Checking libraries..
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
[rockylinux:33855] *** Process received signal ***
[rockylinux:33855] Signal: Segmentation fault (11)
[rockylinux:33855] Signal code: Address not mapped (1)
[rockylinux:33855] Failing at address: 0x5604233896a0
[rockylinux:33855] [ 0] /lib64/libpthread.so.0(+0x12cf0)[...
[rockylinux:33855] [ 1] /lib64/libc.so.6(+0xcbe57)[0x7f56...
[rockylinux:33855] [ 2] /lib64/libc.so.6(+0x66095)[0x7f56...
[rockylinux:33855] [ 3] /lib64/libc.so.6(_IO_vfprintf+0x2...
[rockylinux:33855] [ 4] /lib64/libc.so.6(__vasprintf_chk+...
[rockylinux:33855] [ 5] /lib64/libc.so.6(__asprintf_chk+0...
[rockylinux:33855] [ 6] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 7] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 8] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [ 9] /apps/eman2.91/lib/python3.7/site...
[rockylinux:33855] [10] python(_PyMethodDef_RawFastCallKe...
[rockylinux:33855] [11] python(_PyCFunction_FastCallKeywo...
[rockylinux:33855] [12] python(_PyEval_EvalFrameDefault+0...
[rockylinux:33855] [13] python(_PyFunction_FastCallKeywor...
[rockylinux:33855] [14] python(_PyEval_EvalFrameDefault+0...
[rockylinux:33855] [15] python(_PyEval_EvalCodeWithName+0...
[rockylinux:33855] [16] python(PyEval_EvalCodeEx+0x44)[0x...
[rockylinux:33855] [17] python(PyEval_EvalCode+0x1c)[0x56...
[rockylinux:33855] [18] python(+0x22cf14)[0x560141b12f14]
[rockylinux:33855] [19] python(PyRun_FileExFlags+0xa1)[0x...
[rockylinux:33855] [20] python(PyRun_SimpleFileExFlags+0x...
[rockylinux:33855] [21] python(+0x238655)[0x560141b1e655]
[rockylinux:33855] [22] python(_Py_UnixMain+0x3c)[0x56014...
[rockylinux:33855] [23] /lib64/libc.so.6(__libc_start_mai...
[rockylinux:33855] [24] python(+0x1dcff0)[0x560141ac2ff0]
[rockylinux:33855] *** End of error message ***
./install.sh: line 5: 33855 Segmentation fault (core...
Compiling CUDA code..
Configuring files for your system..
Linking GPU ISAC with the SPHIRE GUI..
GPU ISAC installation complete! Good luck with your proje...
[root@rockylinux gpu_isac_2.3.4]#
}}
と一応インストールは完了します. っが、その前段でエラーが...
こちらは別途
#code(nonumber){{
OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1...
}}
にて実行できます
下記はその実行例となります. これで確認ができたので前段で...
#code(nonumber){{
[root@rockylinux gpu_isac_2.3.4]# OMPI_ALLOW_RUN_AS_ROOT=...
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
SPHIRE installation: .......................................
SPARX v5.0 (GITHUB: 2021-03-08 11:36)
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
MPI available: .............................................
pydusa 1.15 py37h4a2f2b1_17 cryoem
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
CUDA available: ............................................
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2022 NVIDIA Corporation
Built on Tue_May__3_18:49:52_PDT_2022
Cuda compilation tools, release 11.7, V11.7.64
Build cuda_11.7.r11.7/compiler.31294372_0
Looks like all the libraries we need are available, huzzah!
[root@rockylinux gpu_isac_2.3.4]#
}}
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