Task 38661403
| Name | test_1198-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND4825_0 |
| Workunit | 31604822 |
| Created | 24 Oct 2026, 15:42:43 UTC |
| Sent | 24 Oct 2026, 15:51:24 UTC |
| Report deadline | 29 Oct 2026, 15:51:24 UTC |
| Received | 24 Oct 2026, 16:53:59 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 654777 |
| Run time | 2 min 8 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 | 56.16 MB |
| Peak swap size | 40.53 MB |
| Peak disk usage | 4.06 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>
17:51:22 (8588): wrapper (7.9.26016): starting
17:51:22 (8588): 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
17:51:23 (8588): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:23 (8588): 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 0x0000016F577FED50>: 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 0x0000016F5780C950>: 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 0x0000016F5780D210>: 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 0x0000016F5780DAD0>: 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 0x0000016F5780E3D0>: 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 0x00000126D99B9710>: 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'
17:52:12 (8588): C:/Windows/system32/cmd.exe exited; CPU time 2.828125
17:52:12 (8588): app exit status: 0x16
17:52:12 (8588): 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: 707809 bytes.
Dumping objects ->
{3835236} normal block at 0x000001B257B5C340, 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 0x000001B257B5C420, 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 0x000001B257B5C5E0, 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 0x000001B255ED46A0, 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 0x000001B255ED4630, 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 0x000001B257BA3A80, 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 0x000001B255F2B620, 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 0x000001B255ECEC20, 8 bytes long.
Data: < éU² > 00 00 E9 55 B2 01 00 00
{3834546} normal block at 0x000001B255F2A920, 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 0x000001B255ECE9F0, 8 bytes long.
Data: <`ÈòU² > 60 C8 F2 55 B2 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B255ED07E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B255EBF8D0, 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 0x000001B255ED5F90, 16 bytes long.
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{295} normal block at 0x000001B255ED5F40, 16 bytes long.
Data: < díU² > 90 64 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B255ECFE10, 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 0x000001B255ED5FE0, 16 bytes long.
Data: <hdíU² > 68 64 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B255ED5EF0, 16 bytes long.
Data: <@díU² > 40 64 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B255ED5810, 16 bytes long.
Data: < díU² > 18 64 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B255ED5D60, 16 bytes long.
Data: <ðcíU² > F0 63 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B255ED48D0, 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 0x000001B255ED5CC0, 16 bytes long.
Data: <¸ ìU² > B8 8D EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B255ECF930, 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 0x000001B255ED5770, 16 bytes long.
Data: < ìU² > 90 8D EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B255ED5B30, 16 bytes long.
Data: <h ìU² > 68 8D EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B255ED5A40, 16 bytes long.
Data: <@ ìU² > 40 8D EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B255ED5E50, 16 bytes long.
Data: < ìU² > 18 8D EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B255ED5720, 16 bytes long.
Data: <ðŒìU² > F0 8C EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B255ED51D0, 16 bytes long.
Data: <ÈŒìU² > C8 8C EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B255ED0230, 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 0x000001B255ED5BD0, 16 bytes long.
Data: < ŒìU² > A0 8C EC 55 B2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B255EC8CA0, 320 bytes long.
Data: <Ð[íU² 0 íU² > D0 5B ED 55 B2 01 00 00 30 02 ED 55 B2 01 00 00
{276} normal block at 0x000001B255ED5680, 16 bytes long.
Data: <ÐcíU² > D0 63 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B255ED6080, 16 bytes long.
Data: <¨cíU² > A8 63 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B255ED0590, 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 0x000001B255ED5EA0, 16 bytes long.
Data: < cíU² > 80 63 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B255ED0470, 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 0x000001B255ED5900, 16 bytes long.
Data: <ÈbíU² > C8 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B255ED5B80, 16 bytes long.
Data: < bíU² > A0 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B255ED5C70, 16 bytes long.
Data: <xbíU² > 78 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B255ED5AE0, 16 bytes long.
Data: <PbíU² > 50 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B255ED5C20, 16 bytes long.
Data: <(bíU² > 28 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B255ED5590, 16 bytes long.
Data: < bíU² > 00 62 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B255ED59A0, 16 bytes long.
Data: < JíU² > 90 4A ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B255ED4A90, 40 bytes long.
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{262} normal block at 0x000001B255ED5950, 16 bytes long.
Data: <àaíU² > E0 61 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B255ED5E00, 16 bytes long.
Data: <¸aíU² > B8 61 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B255ECFB70, 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 0x000001B255ED5A90, 16 bytes long.
Data: < aíU² > 90 61 ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B255ED6190, 992 bytes long.
Data: < ZíU² pûìU² > 90 5A ED 55 B2 01 00 00 70 FB EC 55 B2 01 00 00
{94} normal block at 0x000001B255ECF870, 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 0x000001B255ECEFE0, 16 bytes long.
Data: <PLíU² > 50 4C ED 55 B2 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001B255ED4C50, 40 bytes long.
Data: <àïìU² pøìU² > E0 EF EC 55 B2 01 00 00 70 F8 EC 55 B2 01 00 00
{71} normal block at 0x000001B255ECEF90, 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 0x000001B255ECE7C0, 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 0x000001B255ECEAE0, 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 0x000001B255ECF5D0, 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 0x000001B255ECEBD0, 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 0x000001B255ECF440, 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 0x000001B255ECF2B0, 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 0x000001B255ECEB80, 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 0x000001B255ECEDB0, 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 0x000001B255ECF260, 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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