Task 38638091
| Name | p38_3_A24_A31_r0_1-QUICO_ATM_OpenFF_NAGL_p38_3-0-6-RND4661_1 |
| Workunit | 31583648 |
| Created | 30 Apr 2026, 0:56:44 UTC |
| Sent | 30 Apr 2026, 0:56:59 UTC |
| Report deadline | 5 May 2026, 0:56:59 UTC |
| Received | 30 Apr 2026, 1:00:35 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 645379 |
| Run time | 1 min 45 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,851.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 36.45 MB |
| Peak swap size | 24.51 MB |
| Peak disk usage | 1.52 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:58:22 (8104): wrapper (7.9.26016): starting
02:58:22 (8104): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A31_0.pdb
QB_A24_A31_0.xml
QB_A24_A31.inpcrd
QB_A24_A31_input.yaml
QB_A24_A31.pdb
QB_A24_A31.prmtop
QB_A24_A31_sys.xml
run.bat
run.sh
02:58:23 (8104): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:58:23 (8104): 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 0x00000191E267BA10>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x00000191E2684810>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x00000191E2684E50>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x00000191E2685810>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x00000191E2686250>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
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 0x000001DC69780F90>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x000001DC69781D50>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x000001DC69782990>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /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 0x000001DC697835D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /simple/atom-openmm/
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 0x000001DC697A0190>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzulässig')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
02:58:48 (8104): C:/Windows/system32/cmd.exe exited; CPU time 1.687500
02:58:48 (8104): app exit status: 0x16
02:58:48 (8104): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 594141 bytes.
Dumping objects ->
{3835521} normal block at 0x000001FA985A0720, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x000001FA985A0250, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835499} normal block at 0x000001FA9859F990, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835488} normal block at 0x000001FA9859FFB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835477} normal block at 0x000001FA968C3DC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835446} normal block at 0x000001FA98616B20, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835435} normal block at 0x000001FA9862D440, 102 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) : {3835432} normal block at 0x000001FA968BDD70, 8 bytes long.
Data: < ‰–ú > 00 00 89 96 FA 01 00 00
{3834691} normal block at 0x000001FA9862DB20, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001FA968BD7D0, 8 bytes long.
Data: <°ØŠ–ú > B0 D8 8A 96 FA 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001FA968B17F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001FA968AF8E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001FA968C4900, 16 bytes long.
Data: < VŒ–ú > 98 56 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001FA968C45E0, 16 bytes long.
Data: <pVŒ–ú > 70 56 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FA968BFAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001FA968C4DB0, 16 bytes long.
Data: <HVŒ–ú > 48 56 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FA968C4590, 16 bytes long.
Data: < VŒ–ú > 20 56 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FA968C4450, 16 bytes long.
Data: <øUŒ–ú > F8 55 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FA968C4AE0, 16 bytes long.
Data: <ÐUŒ–ú > D0 55 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FA968C3B90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001FA968C4B30, 16 bytes long.
Data: <¸ ‹–ú > B8 16 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FA968BFA90, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001FA968C4EF0, 16 bytes long.
Data: < ‹–ú > 90 16 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FA968C49F0, 16 bytes long.
Data: <h ‹–ú > 68 16 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FA968C4D10, 16 bytes long.
Data: <@ ‹–ú > 40 16 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FA968C4C20, 16 bytes long.
Data: < ‹–ú > 18 16 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FA968C50D0, 16 bytes long.
Data: <ð ‹–ú > F0 15 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FA968C4D60, 16 bytes long.
Data: <È ‹–ú > C8 15 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FA968BFF10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001FA968C4F90, 16 bytes long.
Data: <  ‹–ú > A0 15 8B 96 FA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FA968B15A0, 320 bytes long.
Data: < OŒ–ú ÿ‹–ú > 90 4F 8C 96 FA 01 00 00 10 FF 8B 96 FA 01 00 00
{280} normal block at 0x000001FA968C4720, 16 bytes long.
Data: <°UŒ–ú > B0 55 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FA968C43B0, 16 bytes long.
Data: < UŒ–ú > 88 55 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FA968BF550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001FA968C44F0, 16 bytes long.
Data: <`UŒ–ú > 60 55 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FA968BFC70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001FA968C4C70, 16 bytes long.
Data: <¨TŒ–ú > A8 54 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FA968C4A90, 16 bytes long.
Data: < TŒ–ú > 80 54 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FA968C5300, 16 bytes long.
Data: <XTŒ–ú > 58 54 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FA968C52B0, 16 bytes long.
Data: <0TŒ–ú > 30 54 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FA968C5080, 16 bytes long.
Data: < TŒ–ú > 08 54 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FA968C49A0, 16 bytes long.
Data: <àSŒ–ú > E0 53 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FA968C4630, 16 bytes long.
Data: < 7Œ–ú > A0 37 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FA968C37A0, 40 bytes long.
Data: <0FŒ–ú ka ú > 30 46 8C 96 FA 01 00 00 20 6B 61 98 FA 01 00 00
{266} normal block at 0x000001FA968C4B80, 16 bytes long.
Data: <ÀSŒ–ú > C0 53 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FA968C48B0, 16 bytes long.
Data: < SŒ–ú > 98 53 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FA968BFF70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001FA968C51C0, 16 bytes long.
Data: <pSŒ–ú > 70 53 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FA968C5370, 992 bytes long.
Data: <ÀQŒ–ú pÿ‹–ú > C0 51 8C 96 FA 01 00 00 70 FF 8B 96 FA 01 00 00
{98} normal block at 0x000001FA968BFB50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001FA968BD780, 16 bytes long.
Data: <@:Œ–ú > 40 3A 8C 96 FA 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001FA968C3A40, 40 bytes long.
Data: < ׋–ú Pû‹–ú > 80 D7 8B 96 FA 01 00 00 50 FB 8B 96 FA 01 00 00
{75} normal block at 0x000001FA968BDB40, 16 bytes long.
Data: < ê ßö > 80 EA 0D DF F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001FA968BD6E0, 16 bytes long.
Data: <@é ßö > 40 E9 0D DF F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FA968BD5F0, 16 bytes long.
Data: <øW ßö > F8 57 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FA968BDBE0, 16 bytes long.
Data: <ØW ßö > D8 57 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FA968BD500, 16 bytes long.
Data: <P ßö > 50 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FA968BD370, 16 bytes long.
Data: <0 ßö > 30 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FA968BD5A0, 16 bytes long.
Data: <à ßö > E0 02 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FA968BD8C0, 16 bytes long.
Data: < ßö > 10 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FA968BD4B0, 16 bytes long.
Data: <p ßö > 70 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FA968BD050, 16 bytes long.
Data: < À ßö > 18 C0 08 DF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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