Task 38602510
| Name | BACE_A18_A26_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-4-6-RND1861_0 |
| Workunit | 31556912 |
| Created | 10 Apr 2026, 2:58:45 UTC |
| Sent | 10 Apr 2026, 2:58:50 UTC |
| Report deadline | 15 Apr 2026, 2:58:50 UTC |
| Received | 10 Apr 2026, 3:03:09 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 645379 |
| Run time | 3 min 7 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 17,851.41 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.91 MB |
| Peak swap size | 37.13 MB |
| Peak disk usage | 2.79 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>
05:00:27 (11232): wrapper (7.9.26016): starting
05:00:27 (11232): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A26_0.pdb
QB_A18_A26_0.xml
QB_A18_A26.inpcrd
QB_A18_A26_input.yaml
QB_A18_A26.pdb
QB_A18_A26.prmtop
QB_A18_A26_sys.xml
run.bat
run.sh
05:01:24 (11232): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:01:24 (11232): 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 0x0000024CB4981A90>: 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 0x0000024CB4A04690>: 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 0x0000024CB4A04CD0>: 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 0x0000024CB4A05550>: 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 0x0000024CB4A06090>: 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 0x000002B02D0013D0>: 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 0x000002B02D0021D0>: 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 0x000002B02D002DD0>: 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 0x000002B02D003A10>: 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 0x000002B02D020310>: 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
05:02:54 (11232): C:/Windows/system32/cmd.exe exited; CPU time 0.937500
05:02:54 (11232): app exit status: 0x16
05:02:54 (11232): 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: 2246843 bytes.
Dumping objects ->
{3835509} normal block at 0x000001CDE1CAA790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835498} normal block at 0x000001CDE1CAB1A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835487} normal block at 0x000001CDE1CAAAA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835476} normal block at 0x000001CDE0037040, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835465} normal block at 0x000001CDE0036FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835434} normal block at 0x000001CDE1CB6610, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835423} normal block at 0x000001CDE1CD1170, 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) : {3835420} normal block at 0x000001CDE002E2C0, 8 bytes long.
Data: < ÿßÍ > 00 00 FF DF CD 01 00 00
{3834680} normal block at 0x000001CDE1CD1010, 102 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 0x000001CDE002E270, 8 bytes long.
Data: <P{ÔáÍ > 50 7B D4 E1 CD 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001CDE00265F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001CDE0025120, 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 0x000001CDE0038390, 16 bytes long.
Data: <è” àÍ > E8 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001CDE0038DE0, 16 bytes long.
Data: <À” àÍ > C0 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001CDE0034DE0, 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 0x000001CDE0039010, 16 bytes long.
Data: < ” àÍ > 98 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001CDE0038FC0, 16 bytes long.
Data: <p” àÍ > 70 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CDE0038570, 16 bytes long.
Data: <H” àÍ > 48 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001CDE0038D40, 16 bytes long.
Data: < ” àÍ > 20 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CDE0036A90, 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 0x000001CDE0038480, 16 bytes long.
Data: <Èä àÍ > C8 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001CDE0034840, 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 0x000001CDE0038660, 16 bytes long.
Data: < ä àÍ > A0 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CDE00386B0, 16 bytes long.
Data: <xä àÍ > 78 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CDE0038CF0, 16 bytes long.
Data: <Pä àÍ > 50 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001CDE0038340, 16 bytes long.
Data: <(ä àÍ > 28 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CDE0038CA0, 16 bytes long.
Data: < ä àÍ > 00 E4 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001CDE00382F0, 16 bytes long.
Data: <Øã àÍ > D8 E3 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001CDE00349C0, 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 0x000001CDE00388E0, 16 bytes long.
Data: <°ã àÍ > B0 E3 01 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CDE001E3B0, 320 bytes long.
Data: <à àÍ ÀI àÍ > E0 88 03 E0 CD 01 00 00 C0 49 03 E0 CD 01 00 00
{276} normal block at 0x000001CDE0038F70, 16 bytes long.
Data: < ” àÍ > 00 94 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CDE0038C50, 16 bytes long.
Data: <Ø“ àÍ > D8 93 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CDE00347E0, 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 0x000001CDE0038520, 16 bytes long.
Data: <°“ àÍ > B0 93 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001CDE0034720, 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 0x000001CDE0038ED0, 16 bytes long.
Data: <ø’ àÍ > F8 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001CDE0038A70, 16 bytes long.
Data: <Ð’ àÍ > D0 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CDE0039060, 16 bytes long.
Data: <¨’ àÍ > A8 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CDE0038C00, 16 bytes long.
Data: < ’ àÍ > 80 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001CDE0038E80, 16 bytes long.
Data: <X’ àÍ > 58 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CDE0038200, 16 bytes long.
Data: <0’ àÍ > 30 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CDE0038A20, 16 bytes long.
Data: <°i àÍ > B0 69 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CDE00369B0, 40 bytes long.
Data: < Š àÍ fËáÍ > 20 8A 03 E0 CD 01 00 00 10 66 CB E1 CD 01 00 00
{262} normal block at 0x000001CDE0038980, 16 bytes long.
Data: < ’ àÍ > 10 92 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CDE0038E30, 16 bytes long.
Data: <è‘ àÍ > E8 91 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CDE0034600, 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 0x000001CDE0038B10, 16 bytes long.
Data: <À‘ àÍ > C0 91 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CDE00391C0, 992 bytes long.
Data: < ‹ àÍ F àÍ > 10 8B 03 E0 CD 01 00 00 00 46 03 E0 CD 01 00 00
{94} normal block at 0x000001CDE0034F60, 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 0x000001CDE002D870, 16 bytes long.
Data: <ðn àÍ > F0 6E 03 E0 CD 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001CDE0036EF0, 40 bytes long.
Data: <pØ àÍ `O àÍ > 70 D8 02 E0 CD 01 00 00 60 4F 03 E0 CD 01 00 00
{71} normal block at 0x000001CDE002DC80, 16 bytes long.
Data: < ê“uö > 80 EA 93 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001CDE002D4B0, 16 bytes long.
Data: <@é“uö > 40 E9 93 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001CDE002D460, 16 bytes long.
Data: <øW uö > F8 57 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001CDE002DA50, 16 bytes long.
Data: <ØW uö > D8 57 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001CDE002D820, 16 bytes long.
Data: <P uö > 50 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001CDE002DE60, 16 bytes long.
Data: <0 uö > 30 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001CDE002E220, 16 bytes long.
Data: <à uö > E0 02 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CDE002D780, 16 bytes long.
Data: < uö > 10 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CDE002D5F0, 16 bytes long.
Data: <p uö > 70 04 90 75 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CDE002D410, 16 bytes long.
Data: < ÀŽuö > 18 C0 8E 75 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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