Task 38615850
| Name | MCL1_A07_A31_r0_4-QUICO_ATM_OpenFF_MCL1-3-6-RND9531_0 |
| Workunit | 31568060 |
| Created | 17 Apr 2026, 17:36:24 UTC |
| Sent | 17 Apr 2026, 18:09:49 UTC |
| Report deadline | 22 Apr 2026, 18:09:49 UTC |
| Received | 17 Apr 2026, 19:08:56 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 124372 |
| Run time | 1 min 3 sec |
| CPU time | 1 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,727.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 51.77 MB |
| Peak swap size | 36.80 MB |
| Peak disk usage | 1.46 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
21:06:35 (4564): wrapper (7.9.26016): starting
21:06:35 (4564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A31_0.pdb
QB_A07_A31_0.xml
QB_A07_A31.inpcrd
QB_A07_A31_input.yaml
QB_A07_A31.pdb
QB_A07_A31.prmtop
QB_A07_A31_sys.xml
run.bat
run.sh
21:06:36 (4564): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:06:36 (4564): 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 0x00000233E947FD90>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x00000233E9488A50>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x00000233E9488F90>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x00000233E9489950>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x00000233E948A390>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x000002D04F8D5410>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x000002D04F8D61D0>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x000002D04F8D6D10>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x000002D04F8D7A50>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 0x000002D04F8E4350>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /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 'F:\\BOINC\\data\\slots\\2\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
21:07:00 (4564): C:/Windows/system32/cmd.exe exited; CPU time 1.281250
21:07:00 (4564): app exit status: 0x16
21:07:00 (4564): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 390963 bytes.
Dumping objects ->
{3835555} normal block at 0x000001E993E45AD0, 48 bytes long.
Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835544} normal block at 0x000001E995AD2B80, 32 bytes long.
Data: <HOME=F:\BOINC\da> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835533} normal block at 0x000001E995AD26A0, 32 bytes long.
Data: <TMP=F:\BOINC\dat> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 74
{3835522} normal block at 0x000001E995AD1EC0, 32 bytes long.
Data: <TEMP=F:\BOINC\da> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835511} normal block at 0x000001E995AD1980, 32 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835480} normal block at 0x000001E993E458A0, 48 bytes long.
Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61
{3835469} normal block at 0x000001E993E9BB50, 140 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) : {3835466} normal block at 0x000001E993E3BB60, 8 bytes long.
Data: < ӎ > 00 00 1E 94 E9 01 00 00
{3834691} normal block at 0x000001E993E9C100, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x000001E993E3AF30, 8 bytes long.
Data: <`Ýâ“é > 60 DD E2 93 E9 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001E993E31020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E993E32640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001E993E46830, 16 bytes long.
Data: < tä“é > 88 74 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E993E46510, 16 bytes long.
Data: <`tä“é > 60 74 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E993E40450, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001E993E461A0, 16 bytes long.
Data: <8tä“é > 38 74 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E993E46C40, 16 bytes long.
Data: < tä“é > 10 74 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E993E46330, 16 bytes long.
Data: <èsä“é > E8 73 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E993E46B00, 16 bytes long.
Data: <Àsä“é > C0 73 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E993E45C20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001E993E470F0, 16 bytes long.
Data: <¨ ã“é > A8 0D E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E993E40270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001E993E467E0, 16 bytes long.
Data: < ã“é > 80 0D E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E993E46790, 16 bytes long.
Data: <X ã“é > 58 0D E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E993E462E0, 16 bytes long.
Data: <0 ã“é > 30 0D E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E993E46A10, 16 bytes long.
Data: < ã“é > 08 0D E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E993E46BF0, 16 bytes long.
Data: <à ã“é > E0 0C E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E993E46F10, 16 bytes long.
Data: <¸ ã“é > B8 0C E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E993E40870, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001E993E46D30, 16 bytes long.
Data: < ã“é > 90 0C E3 93 E9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E993E30C90, 320 bytes long.
Data: <0mä“é p ä“é > 30 6D E4 93 E9 01 00 00 70 08 E4 93 E9 01 00 00
{277} normal block at 0x000001E993E46EC0, 16 bytes long.
Data: < sä“é > A0 73 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E993E46740, 16 bytes long.
Data: <xsä“é > 78 73 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E993E407B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001E993E47000, 16 bytes long.
Data: <Psä“é > 50 73 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E993E40E70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001E993E46A60, 16 bytes long.
Data: < rä“é > 98 72 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E993E46650, 16 bytes long.
Data: <prä“é > 70 72 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E993E46290, 16 bytes long.
Data: <Hrä“é > 48 72 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E993E46240, 16 bytes long.
Data: < rä“é > 20 72 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E993E46600, 16 bytes long.
Data: <øqä“é > F8 71 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E993E46560, 16 bytes long.
Data: <Ðqä“é > D0 71 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E993E469C0, 16 bytes long.
Data: <@[ä“é > 40 5B E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E993E45B40, 40 bytes long.
Data: <Àiä“é  Xä“é > C0 69 E4 93 E9 01 00 00 A0 58 E4 93 E9 01 00 00
{263} normal block at 0x000001E993E46AB0, 16 bytes long.
Data: <°qä“é > B0 71 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E993E46DD0, 16 bytes long.
Data: < qä“é > 88 71 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E993E40990, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001E993E46970, 16 bytes long.
Data: <`qä“é > 60 71 E4 93 E9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E993E47160, 992 bytes long.
Data: <piä“é ä“é > 70 69 E4 93 E9 01 00 00 90 09 E4 93 E9 01 00 00
{95} normal block at 0x000001E993E408D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001E993E3ADF0, 16 bytes long.
Data: < Çâ“é > 00 C7 E2 93 E9 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001E993E2C700, 40 bytes long.
Data: <ð­ã“é Ð ä“é > F0 AD E3 93 E9 01 00 00 D0 08 E4 93 E9 01 00 00
{72} normal block at 0x000001E993E3B250, 16 bytes long.
Data: < ê ö > 80 EA 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E993E3BCA0, 16 bytes long.
Data: <@é ö > 40 E9 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E993E3B9D0, 16 bytes long.
Data: <øW ö > F8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E993E3B6B0, 16 bytes long.
Data: <ØW ö > D8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E993E3B700, 16 bytes long.
Data: <P ö > 50 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E993E3B070, 16 bytes long.
Data: <0 ö > 30 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E993E3B840, 16 bytes long.
Data: <à ö > E0 02 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E993E3BD40, 16 bytes long.
Data: < ö > 10 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E993E3AEE0, 16 bytes long.
Data: <p ö > 70 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E993E3B930, 16 bytes long.
Data: < À ö > 18 C0 00 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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