Task 38659943
| Name | test_1795-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND6158_0 |
| Workunit | 31603475 |
| Created | 24 Oct 2026, 13:41:12 UTC |
| Sent | 24 Oct 2026, 16:52:03 UTC |
| Report deadline | 29 Oct 2026, 16:52:03 UTC |
| Received | 24 Oct 2026, 17:30:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654777 |
| Run time | 1 min 59 sec |
| CPU time | 2 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 53.11 MB |
| Peak swap size | 38.23 MB |
| Peak disk usage | 1.42 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:23:17 (5144): wrapper (7.9.26016): starting
18:23:17 (5144): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
18:23:18 (5144): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:23:18 (5144): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001955B81ED50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001955B82C950>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001955B82D210>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001955B82DAD0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000001955B82E3D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml==26.2.1 (from versions: none)
ERROR: No matching distribution found for pyaml==26.2.1
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000022D1DE49510>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000022D1DE49D10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000022D1DE4AC10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x0000022D1DE4B810>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /simple/atom-openmm/
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
super().__init__(command_file, options)
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 51, in __init__
self.keywords = parse_config(self.command_file)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\utils\config.py", line 83, in parse_config
import yaml
ModuleNotFoundError: No module named 'yaml'
18:24:00 (5144): C:/Windows/system32/cmd.exe exited; CPU time 2.937500
18:24:00 (5144): app exit status: 0x16
18:24:00 (5144): called boinc_finish(195)
0 bytes in 0 Free Blocks.
538 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 715943 bytes.
Dumping objects ->
{3835236} normal block at 0x000001F8B939E060, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x000001F8B939DC70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001F8B939D810, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x000001F8B7704A30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x000001F8B7704950, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x000001F8B93EB500, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000001F8B775C3A0, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835147} normal block at 0x000001F8B76FF3C0, 8 bytes long.
Data: < È·ø > 00 00 C8 B7 F8 01 00 00
{3834546} normal block at 0x000001F8B775CA20, 141 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001F8B76FED30, 8 bytes long.
Data: < ID¹ø > 90 49 44 B9 F8 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F8B7700A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001F8B76F5F00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001F8B7705380, 16 bytes long.
Data: < fp·ø > 18 66 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F8B7705CE0, 16 bytes long.
Data: <ðep·ø > F0 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F8B77002D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001F8B7705C90, 16 bytes long.
Data: <Èep·ø > C8 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F8B77056A0, 16 bytes long.
Data: < ep·ø > A0 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F8B77057E0, 16 bytes long.
Data: <xep·ø > 78 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F8B7705470, 16 bytes long.
Data: <Pep·ø > 50 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F8B77048E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001F8B77060F0, 16 bytes long.
Data: <øµn·ø > F8 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F8B7700270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001F8B7705AB0, 16 bytes long.
Data: <еn·ø > D0 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F8B7705F60, 16 bytes long.
Data: <¨µn·ø > A8 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F8B7705560, 16 bytes long.
Data: < µn·ø > 80 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F8B7705C40, 16 bytes long.
Data: <Xµn·ø > 58 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F8B7705790, 16 bytes long.
Data: <0µn·ø > 30 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F8B7705F10, 16 bytes long.
Data: < µn·ø > 08 B5 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F8B77005D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001F8B7705330, 16 bytes long.
Data: <à´n·ø > E0 B4 6E B7 F8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F8B76EB4E0, 320 bytes long.
Data: <0Sp·ø Ð p·ø > 30 53 70 B7 F8 01 00 00 D0 05 70 B7 F8 01 00 00
{276} normal block at 0x000001F8B7706280, 16 bytes long.
Data: <0ep·ø > 30 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F8B77060A0, 16 bytes long.
Data: < ep·ø > 08 65 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F8B7700570, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001F8B7705650, 16 bytes long.
Data: <àdp·ø > E0 64 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F8B7700510, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001F8B7705D80, 16 bytes long.
Data: <(dp·ø > 28 64 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F8B7706050, 16 bytes long.
Data: < dp·ø > 00 64 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F8B7706190, 16 bytes long.
Data: <Øcp·ø > D8 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F8B7706140, 16 bytes long.
Data: <°cp·ø > B0 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F8B7706230, 16 bytes long.
Data: < cp·ø > 88 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F8B7706000, 16 bytes long.
Data: <`cp·ø > 60 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F8B7705A60, 16 bytes long.
Data: < Gp·ø > 90 47 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F8B7704790, 40 bytes long.
Data: <`Zp·ø µ>¹ø > 60 5A 70 B7 F8 01 00 00 00 B5 3E B9 F8 01 00 00
{262} normal block at 0x000001F8B77054C0, 16 bytes long.
Data: <@cp·ø > 40 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F8B7705B50, 16 bytes long.
Data: < cp·ø > 18 63 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F8B7700330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001F8B7705600, 16 bytes long.
Data: <ðbp·ø > F0 62 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F8B77062F0, 992 bytes long.
Data: < Vp·ø 0 p·ø > 00 56 70 B7 F8 01 00 00 30 03 70 B7 F8 01 00 00
{94} normal block at 0x000001F8B76FFDF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001F8B76FF370, 16 bytes long.
Data: <`Lp·ø > 60 4C 70 B7 F8 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001F8B7704C60, 40 bytes long.
Data: <póo·ø ðýo·ø > 70 F3 6F B7 F8 01 00 00 F0 FD 6F B7 F8 01 00 00
{71} normal block at 0x000001F8B76FEE20, 16 bytes long.
Data: < ê× ö > 80 EA D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F8B76FE920, 16 bytes long.
Data: <@é× ö > 40 E9 D7 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F8B76FEE70, 16 bytes long.
Data: <øWÔ ö > F8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F8B76FF6E0, 16 bytes long.
Data: <ØWÔ ö > D8 57 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F8B76FEFB0, 16 bytes long.
Data: <P Ô ö > 50 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F8B76FF0A0, 16 bytes long.
Data: <0 Ô ö > 30 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F8B76FE880, 16 bytes long.
Data: <à Ô ö > E0 02 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F8B76FF640, 16 bytes long.
Data: < Ô ö > 10 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F8B76FF410, 16 bytes long.
Data: <p Ô ö > 70 04 D4 0B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F8B76FF500, 16 bytes long.
Data: < ÀÒ ö > 18 C0 D2 0B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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