I tried to replicate your test procedure. Unfortunately, it doesn't work and I'm not a experienced Linux user.
I copied the WU and the core to my desktop folder "mpstest0" and mpstest0\00
Then entered the commands:
Code: Select all
myxubuntu@myxubuntu:~/Desktop/mpstest0$ ./FahCore_22 -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-platform 0 -cuda-device 0 -gpu 0 --log-time=true
./FahCore_22: error while loading shared libraries: libOpenMM.so.7.7: cannot open shared object file: No such file or directory
Code: Select all
myxubuntu@myxubuntu:~/Desktop/mpstest0$ export LD_LIBRARY_PATH=.
Code: Select all
myxubuntu@myxubuntu:~/Desktop/mpstest0$ ./FahCore_22 -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-platform 0 -cuda-device 0 -gpu 0 --log-time=true
WARNING:Ignoring invalid or unsupported argument '-cuda-platform'
WARNING:Ignoring invalid or unsupported argument '0'
20:49:30:Trying to acquire exclusive lock on unit 01
20:49:30:********************** Core22 Folding@home Core ***********************
20:49:30: Core: Core22
20:49:30: Type: 0x22
20:49:30: Version: 0.0.20
20:49:30: Author: Joseph Coffland <joseph@cauldrondevelopment.com>
20:49:30: Copyright: 2020 foldingathome.org
20:49:30: Homepage: https://foldingathome.org/
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:52
20:49:30: Revision: 3f211b8a4346514edbff34e3cb1c0e0ec951373c
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie
20:49:30: -DOPENMM_VERSION="\"7.7.0\""
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:Maintainers: John Chodera <john.chodera@choderalab.org> and Peter Eastman
20:49:30: <peastman@stanford.edu>
20:49:30: Args: -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-platform 0 -cuda-device
20:49:30: 0 -gpu 0 --log-time=true
20:49:30:******************************* libFAH ********************************
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:22
20:49:30: Revision: 9f4ad694e75c2350d4bb6b8b5b769ba27e483a2f
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:******************************** CBang ********************************
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:00
20:49:30: Revision: ab023d155b446906d55b0f6c9a1eedeea04f7a1a
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie -fPIC
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:******************************* System ********************************
20:49:30: CPU: AMD Ryzen 9 5900X 12-Core Processor
20:49:30: CPU ID: AuthenticAMD Family 25 Model 33 Stepping 0
20:49:30: CPUs: 24
20:49:30: Memory: 31.27GiB
20:49:30:Free Memory: 22.91GiB
20:49:30: Threads: POSIX_THREADS
20:49:30: OS Version: 6.14
20:49:30:Has Battery: false
20:49:30: On Battery: false
20:49:30: UTC Offset: 2
20:49:30: PID: 5275
20:49:30: CWD: /home/myxubuntu/Desktop/mpstest0
20:49:30:******************************* OpenMM ********************************
20:49:30: Version: 7.7.0
20:49:30:***********************************************************************
20:49:30:Project: 14955 (Run 5, Clone 159, Gen 24)
20:49:30:Reading tar file core.xml
20:49:30:Reading tar file integrator.xml
20:49:30:Reading tar file state.xml
20:49:30:Reading tar file system.xml
20:49:31:Digital signatures verified
I deleted the "-cuda-platform 0" option, however the same result:
Code: Select all
myxubuntu@myxubuntu:~/Desktop/mpstest0$ ./FahCore_22 -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-device 0 -gpu 0 --log-time=true
20:57:26:Trying to acquire exclusive lock on unit 01
20:57:26:********************** Core22 Folding@home Core ***********************
20:57:26: Core: Core22
20:57:26: Type: 0x22
20:57:26: Version: 0.0.20
20:57:26: Author: Joseph Coffland <joseph@cauldrondevelopment.com>
20:57:26: Copyright: 2020 foldingathome.org
20:57:26: Homepage: https://foldingathome.org/
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:52
20:57:26: Revision: 3f211b8a4346514edbff34e3cb1c0e0ec951373c
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie
20:57:26: -DOPENMM_VERSION="\"7.7.0\""
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:Maintainers: John Chodera <john.chodera@choderalab.org> and Peter Eastman
20:57:26: <peastman@stanford.edu>
20:57:26: Args: -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-device 0 -gpu 0
20:57:26: --log-time=true
20:57:26:******************************* libFAH ********************************
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:22
20:57:26: Revision: 9f4ad694e75c2350d4bb6b8b5b769ba27e483a2f
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:******************************** CBang ********************************
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:00
20:57:26: Revision: ab023d155b446906d55b0f6c9a1eedeea04f7a1a
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie -fPIC
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:******************************* System ********************************
20:57:26: CPU: AMD Ryzen 9 5900X 12-Core Processor
20:57:26: CPU ID: AuthenticAMD Family 25 Model 33 Stepping 0
20:57:26: CPUs: 24
20:57:26: Memory: 31.27GiB
20:57:26:Free Memory: 22.93GiB
20:57:26: Threads: POSIX_THREADS
20:57:26: OS Version: 6.14
20:57:26:Has Battery: false
20:57:26: On Battery: false
20:57:26: UTC Offset: 2
20:57:26: PID: 5417
20:57:26: CWD: /home/myxubuntu/Desktop/mpstest0
20:57:26:******************************* OpenMM ********************************
20:57:26: Version: 7.7.0
20:57:26:***********************************************************************
20:57:26:Project: 14955 (Run 5, Clone 159, Gen 24)
20:57:26:Reading tar file core.xml
20:57:26:Reading tar file integrator.xml
20:57:26:Reading tar file state.xml
20:57:27:Reading tar file system.xml
20:57:27:Digital signatures verified
Here's the log files with two attempts:
Code: Select all
*********************** Log Started 2025-10-16T20:49:30Z ***********************
20:49:30:********************** Core22 Folding@home Core ***********************
20:49:30: Core: Core22
20:49:30: Type: 0x22
20:49:30: Version: 0.0.20
20:49:30: Author: Joseph Coffland <joseph@cauldrondevelopment.com>
20:49:30: Copyright: 2020 foldingathome.org
20:49:30: Homepage: https://foldingathome.org/
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:52
20:49:30: Revision: 3f211b8a4346514edbff34e3cb1c0e0ec951373c
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie
20:49:30: -DOPENMM_VERSION="\"7.7.0\""
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:Maintainers: John Chodera <john.chodera@choderalab.org> and Peter Eastman
20:49:30: <peastman@stanford.edu>
20:49:30: Args: -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-platform 0 -cuda-device
20:49:30: 0 -gpu 0 --log-time=true
20:49:30:******************************* libFAH ********************************
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:22
20:49:30: Revision: 9f4ad694e75c2350d4bb6b8b5b769ba27e483a2f
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:******************************** CBang ********************************
20:49:30: Date: Jan 20 2022
20:49:30: Time: 00:57:00
20:49:30: Revision: ab023d155b446906d55b0f6c9a1eedeea04f7a1a
20:49:30: Branch: HEAD
20:49:30: Compiler: GNU 9.4.0
20:49:30: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:49:30: -fdata-sections -O3 -funroll-loops -fno-pie -fPIC
20:49:30: Platform: linux 5.11.0-1025-azure
20:49:30: Bits: 64
20:49:30: Mode: Release
20:49:30:******************************* System ********************************
20:49:30: CPU: AMD Ryzen 9 5900X 12-Core Processor
20:49:30: CPU ID: AuthenticAMD Family 25 Model 33 Stepping 0
20:49:30: CPUs: 24
20:49:30: Memory: 31.27GiB
20:49:30:Free Memory: 22.91GiB
20:49:30: Threads: POSIX_THREADS
20:49:30: OS Version: 6.14
20:49:30:Has Battery: false
20:49:30: On Battery: false
20:49:30: UTC Offset: 2
20:49:30: PID: 5275
20:49:30: CWD: /home/myxubuntu/Desktop/mpstest0
20:49:30:******************************* OpenMM ********************************
20:49:30: Version: 7.7.0
20:49:30:***********************************************************************
20:49:30:Project: 14955 (Run 5, Clone 159, Gen 24)
20:49:30:Reading tar file core.xml
20:49:30:Reading tar file integrator.xml
20:49:30:Reading tar file state.xml
20:49:30:Reading tar file system.xml
20:49:31:Digital signatures verified
20:49:31:Folding@home GPU Core22 Folding@home Core
20:49:31:Version 0.0.20
20:49:31: Checkpoint write interval: 50000 steps (5%) [20 total]
20:49:31: JSON viewer frame write interval: 10000 steps (1%) [100 total]
20:49:31: XTC frame write interval: 25000 steps (2.5%) [40 total]
20:49:31: Global context and integrator variables write interval: disabled
20:49:31:No -opencl-device specified; using deprecated -gpu argument as an alias for -opencl-device.
20:49:31:Please consider upgrading your client version.
20:49:31:Error loading plugin libOpenMMCUDA.so: Error loading library /home/myxubuntu/Desktop/mpstest0/libOpenMMCUDA.so: libcufft.so.10: cannot open shared object file: No such file or directory
20:49:31:Error loading plugin libOpenMMCudaCompiler.so: Error loading library /home/myxubuntu/Desktop/mpstest0/libOpenMMCudaCompiler.so: libnvrtc.so.11.2: cannot open shared object file: No such file or directory
20:49:31:There are 3 platforms available.
20:49:31:Platform 0: Reference
20:49:31:Platform 1: CPU
20:49:31:Platform 2: OpenCL
20:49:31: opencl-device 0 specified
20:49:31:cuda-device was set but CUDA platform could not be found.
20:49:40:Attempting to create OpenCL context:
20:49:40: Configuring platform OpenCL
20:49:40:Failed to create OpenCL context:
20:49:40:Error initializing context: clCreateContext (-9999)
20:49:40:ERROR:125: Failed to create a GPU-enabled OpenMM Context.
20:49:40:Saving result file ../logfile_01.txt
20:49:40:Saving result file science.log
20:49:40:Folding@home Core Shutdown: BAD_WORK_UNIT
*********************** Log Started 2025-10-16T20:57:26Z ***********************
20:57:26:********************** Core22 Folding@home Core ***********************
20:57:26: Core: Core22
20:57:26: Type: 0x22
20:57:26: Version: 0.0.20
20:57:26: Author: Joseph Coffland <joseph@cauldrondevelopment.com>
20:57:26: Copyright: 2020 foldingathome.org
20:57:26: Homepage: https://foldingathome.org/
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:52
20:57:26: Revision: 3f211b8a4346514edbff34e3cb1c0e0ec951373c
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie
20:57:26: -DOPENMM_VERSION="\"7.7.0\""
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:Maintainers: John Chodera <john.chodera@choderalab.org> and Peter Eastman
20:57:26: <peastman@stanford.edu>
20:57:26: Args: -dir 00 -suffix 01 -gpu-vendor nvidia -cuda-device 0 -gpu 0
20:57:26: --log-time=true
20:57:26:******************************* libFAH ********************************
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:22
20:57:26: Revision: 9f4ad694e75c2350d4bb6b8b5b769ba27e483a2f
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:******************************** CBang ********************************
20:57:26: Date: Jan 20 2022
20:57:26: Time: 00:57:00
20:57:26: Revision: ab023d155b446906d55b0f6c9a1eedeea04f7a1a
20:57:26: Branch: HEAD
20:57:26: Compiler: GNU 9.4.0
20:57:26: Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
20:57:26: -fdata-sections -O3 -funroll-loops -fno-pie -fPIC
20:57:26: Platform: linux 5.11.0-1025-azure
20:57:26: Bits: 64
20:57:26: Mode: Release
20:57:26:******************************* System ********************************
20:57:26: CPU: AMD Ryzen 9 5900X 12-Core Processor
20:57:26: CPU ID: AuthenticAMD Family 25 Model 33 Stepping 0
20:57:26: CPUs: 24
20:57:26: Memory: 31.27GiB
20:57:26:Free Memory: 22.93GiB
20:57:26: Threads: POSIX_THREADS
20:57:26: OS Version: 6.14
20:57:26:Has Battery: false
20:57:26: On Battery: false
20:57:26: UTC Offset: 2
20:57:26: PID: 5417
20:57:26: CWD: /home/myxubuntu/Desktop/mpstest0
20:57:26:******************************* OpenMM ********************************
20:57:26: Version: 7.7.0
20:57:26:***********************************************************************
20:57:26:Project: 14955 (Run 5, Clone 159, Gen 24)
20:57:26:Reading tar file core.xml
20:57:26:Reading tar file integrator.xml
20:57:26:Reading tar file state.xml
20:57:27:Reading tar file system.xml
20:57:27:Digital signatures verified
20:57:27:Folding@home GPU Core22 Folding@home Core
20:57:27:Version 0.0.20
20:57:28: Checkpoint write interval: 50000 steps (5%) [20 total]
20:57:28: JSON viewer frame write interval: 10000 steps (1%) [100 total]
20:57:28: XTC frame write interval: 25000 steps (2.5%) [40 total]
20:57:28: Global context and integrator variables write interval: disabled
20:57:28:No -opencl-device specified; using deprecated -gpu argument as an alias for -opencl-device.
20:57:28:Please consider upgrading your client version.
20:57:28:Error loading plugin libOpenMMCUDA.so: Error loading library /home/myxubuntu/Desktop/mpstest0/libOpenMMCUDA.so: libcufft.so.10: cannot open shared object file: No such file or directory
20:57:28:Error loading plugin libOpenMMCudaCompiler.so: Error loading library /home/myxubuntu/Desktop/mpstest0/libOpenMMCudaCompiler.so: libnvrtc.so.11.2: cannot open shared object file: No such file or directory
20:57:28:There are 3 platforms available.
20:57:28:Platform 0: Reference
20:57:28:Platform 1: CPU
20:57:28:Platform 2: OpenCL
20:57:28: opencl-device 0 specified
20:57:28:cuda-device was set but CUDA platform could not be found.
20:57:37:Attempting to create OpenCL context:
20:57:37: Configuring platform OpenCL
20:57:37:Failed to create OpenCL context:
20:57:37:Error initializing context: clCreateContext (-9999)
20:57:37:ERROR:125: Failed to create a GPU-enabled OpenMM Context.
20:57:37:Saving result file ../logfile_01.txt
20:57:37:Saving result file science.log
20:57:37:Folding@home Core Shutdown: BAD_WORK_UNIT
Code: Select all
*********************** Log Started 2025-10-16T21:12:23Z ***********************
*************************** Core27 Folding@home Core ***************************
Core: Core27
Type: 0x27
Version: 8.2.1
Author: Joseph Coffland <joseph@cauldrondevelopment.com>
Copyright: 2022 foldingathome.org
Homepage: https://foldingathome.org/
Date: Mar 27 2025
Time: 04:28:24
Revision: 84019442387121f2bed4ed52e05c53b7b7b52a72
Branch: HEAD
Compiler: GNU 7.5.0
Options: -faligned-new -std=c++14 -fsigned-char -ffunction-sections
-fdata-sections -O3 -funroll-loops -fno-pie
-DOPENMM_VERSION="\"8.2.0\""
Platform: linux 6.8.0-1021-azure
Bits: 64
Mode: Release
Maintainers: John Chodera <john.chodera@choderalab.org> and Peter Eastman
<peastman@stanford.edu>
Args: -dir _O2QuDg4RbgBbI1oQDMsFV2ufMai1KqX3t8QYfzlTAc -suffix 01
-version 8.4.9 -lifeline 5759 -gpu-uuid
82ebfe35-4873-868a-4b21-5d782ea14f54 -gpu-platform cuda -gpu-vendor
nvidia -cuda-platform 0 -cuda-device 0
************************************ libFAH ************************************
Date: Mar 27 2025
Time: 04:23:18
Revision: c7d2824a47eb025fa8cda8968c7a5e971585d90c
Branch: HEAD
Compiler: GNU 7.5.0
Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
-fdata-sections -O3 -funroll-loops -fno-pie
Platform: linux 6.8.0-1021-azure
Bits: 64
Mode: Release
************************************ CBang *************************************
Version: 1.7.2
Author: Joseph Coffland <joseph@cauldrondevelopment.com>
Org: Cauldron Development LLC
Copyright: Cauldron Development LLC, 2003-2024
Homepage: https://cauldrondevelopment.com/
License: LGPL-2.1-or-later
Date: Mar 27 2025
Time: 04:22:53
Revision: f1cd4c791e8c40a35dcfeab3ab85d910949cc0cb
Branch: HEAD
Compiler: GNU 7.5.0
Options: -faligned-new -std=c++11 -fsigned-char -ffunction-sections
-fdata-sections -O3 -funroll-loops -fno-pie -fPIC
Platform: linux 6.8.0-1021-azure
Bits: 64
Mode: Release
************************************ System ************************************
CPU: AMD Ryzen 9 5900X 12-Core Processor
CPU ID: AuthenticAMD Family 25 Model 33 Stepping 0
CPUs: 24
Memory: 31.27GiB
Free Memory: 25.17GiB
OS Version: 6.14
Has Battery: false
On Battery: false
Hostname: myxubuntu
UTC Offset: 2
PID: 5769
CWD: /var/lib/fah-client/work
Exec: /var/lib/fah-client/cores/openmm-core-27/centos-7.9.2009-64bit/release/fahcore-27-centos-7.9.2009-64bit-release-8.2.1/FahCore_27
************************************ OpenMM ************************************
Version: 8.2.0
********************************************************************************
Project: 15303 (Run 195, Clone 0, Gen 20)
Reading tar file core.xml
Reading tar file integrator.xml
Reading tar file state.xml
Reading tar file system.xml
Digital signatures verified
Folding@home GPU Core27 Folding@home Core
Version 8.2.1
GPU info: Platform: CUDA
GPU info: PlatformIndex: 0
GPU info: Device: NVIDIA GeForce RTX 5080
GPU info: DeviceIndex: 0
GPU info: Vendor: 0x10de
GPU info: PCI: 43:00:00
GPU info: Compute: 12.0
GPU info: Driver: 13.0
GPU info: GPU: true
Checkpoint write interval: 125000 steps (5%) [20 total]
JSON viewer frame write interval: 25000 steps (1%) [100 total]
XTC frame write interval: 50000 steps (2%) [50 total]
TRR frame write interval: disabled
Global context and integrator variables write interval: disabled
There are 4 platforms available.
Platform 0: Reference
Platform 1: CPU
Platform 2: OpenCL
Platform 3: CUDA
cuda-device 0 specified
Attempting to create CUDA context:
Configuring platform CUDA
Using CUDA on CUDA Platform and gpu 0
GPU info: Platform: CUDA
GPU info: PlatformIndex: 0
GPU info: Device: NVIDIA GeForce RTX 5080
GPU info: DeviceIndex: 0
GPU info: Vendor: 0x10de
GPU info: PCI: 43:00:00
GPU info: Compute: 12.0
GPU info: Driver: 13.0
GPU info: GPU: true
Completed 0 out of 2500000 steps (0%)
Checkpoint completed at step 0
Completed 25000 out of 2500000 steps (1%)
Completed 50000 out of 2500000 steps (2%)
Completed 75000 out of 2500000 steps (3%)
Completed 100000 out of 2500000 steps (4%)
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Checkpoint completed at step 375000
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Completed 525000 out of 2500000 steps (21%)
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