Task 38616387

Name hif2a_2_A02_A24_r0_1-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND4199_1
Workunit 31568293
Created 17 Apr 2026, 20:11:06 UTC
Sent 17 Apr 2026, 20:11:39 UTC
Report deadline 22 Apr 2026, 20:11:39 UTC
Received 17 Apr 2026, 20:14:53 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 7 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 33.98 MB
Peak swap size 23.30 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>
22:12:31 (9344): wrapper (7.9.26016): starting
22:12:31 (9344): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A24_0.pdb
QB_A02_A24_0.xml
QB_A02_A24.inpcrd
QB_A02_A24_input.yaml
QB_A02_A24.pdb
QB_A02_A24.prmtop
QB_A02_A24_sys.xml
run.bat
run.sh
22:12:32 (9344): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:12:32 (9344): 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 0x000001F961D3FC10>: 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 0x000001F961D488D0>: 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 0x000001F961D49150>: 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 0x000001F961D497D0>: 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 0x000001F961D4A250>: 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 0x0000024604F65450>: 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 0x0000024604F66150>: 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 0x0000024604F66D90>: 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 0x0000024604F67A10>: 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 0x0000024604F74310>: 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
22:12:57 (9344): C:/Windows/system32/cmd.exe exited; CPU time 1.296875
22:12:57 (9344): app exit status: 0x16
22:12:57 (9344): 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: 401333 bytes.
Dumping objects ->
{3835555} normal block at 0x0000026731225C30, 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 0x0000026732E47400, 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 0x0000026732E463E0, 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 0x0000026732E46920, 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 0x0000026732E47760, 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 0x00000267312258B0, 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 0x000002673127D370, 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 0x000002673121AED0, 8 bytes long.
 Data: <  U1g   > 00 00 55 31 67 02 00 00 
{3834691} normal block at 0x000002673127D780, 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 0x000002673121BB50, 8 bytes long.
 Data: <@G&#229;2g   > 40 47 E5 32 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026731211980, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026731212000, 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 0x0000026731226490, 16 bytes long.
 Data: <&#232;u"1g           > E8 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000267312268F0, 16 bytes long.
 Data: <&#192;u"1g           > C0 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026731220170, 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 0x0000026731226760, 16 bytes long.
 Data: < u"1g           > 98 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026731227110, 16 bytes long.
 Data: <pu"1g           > 70 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000267312263A0, 16 bytes long.
 Data: <Hu"1g           > 48 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000267312268A0, 16 bytes long.
 Data: < u"1g           > 20 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026731225840, 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 0x00000267312265D0, 16 bytes long.
 Data: <8&#199; 1g           > 38 C7 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026731220290, 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 0x0000026731226710, 16 bytes long.
 Data: < &#199; 1g           > 10 C7 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026731226670, 16 bytes long.
 Data: <&#232;&#198; 1g           > E8 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026731226800, 16 bytes long.
 Data: <&#192;&#198; 1g           > C0 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000267312270C0, 16 bytes long.
 Data: < &#198; 1g           > 98 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026731227070, 16 bytes long.
 Data: <p&#198; 1g           > 70 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026731226F80, 16 bytes long.
 Data: <H&#198; 1g           > 48 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026731220F50, 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 0x0000026731226F30, 16 bytes long.
 Data: < &#198; 1g           > 20 C6 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002673120C620, 320 bytes long.
 Data: <0o"1g   P "1g   > 30 6F 22 31 67 02 00 00 50 0F 22 31 67 02 00 00 
{277} normal block at 0x0000026731227020, 16 bytes long.
 Data: < u"1g           > 00 75 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026731226E90, 16 bytes long.
 Data: <&#216;t"1g           > D8 74 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026731220C50, 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 0x00000267312269E0, 16 bytes long.
 Data: <&#176;t"1g           > B0 74 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026731220D70, 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 0x0000026731226D50, 16 bytes long.
 Data: <&#248;s"1g           > F8 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000267312263F0, 16 bytes long.
 Data: <&#208;s"1g           > D0 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026731226DF0, 16 bytes long.
 Data: <&#168;s"1g           > A8 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026731226E40, 16 bytes long.
 Data: < s"1g           > 80 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026731227250, 16 bytes long.
 Data: <Xs"1g           > 58 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026731226C10, 16 bytes long.
 Data: <0s"1g           > 30 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026731226FD0, 16 bytes long.
 Data: < Y"1g           > 20 59 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026731225920, 40 bytes long.
 Data: <&#208;o"1g   &#176;X"1g   > D0 6F 22 31 67 02 00 00 B0 58 22 31 67 02 00 00 
{263} normal block at 0x0000026731226EE0, 16 bytes long.
 Data: < s"1g           > 10 73 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000267312271B0, 16 bytes long.
 Data: <&#232;r"1g           > E8 72 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026731220590, 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 0x0000026731226440, 16 bytes long.
 Data: <&#192;r"1g           > C0 72 22 31 67 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000267312272C0, 992 bytes long.
 Data: <@d"1g     "1g   > 40 64 22 31 67 02 00 00 90 05 22 31 67 02 00 00 
{95} normal block at 0x0000026731220BF0, 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 0x000002673121BBF0, 16 bytes long.
 Data: <@&#244; 1g           > 40 F4 20 31 67 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002673120F440, 40 bytes long.
 Data: <&#240;&#187;!1g   &#240; "1g   > F0 BB 21 31 67 02 00 00 F0 0B 22 31 67 02 00 00 
{72} normal block at 0x000002673121B6A0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002673121B380, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002673121B9C0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002673121B290, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002673121B920, 16 bytes long.
 Data: <P   &#246;           > 50 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002673121BBA0, 16 bytes long.
 Data: <0   &#246;           > 30 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002673121B1A0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002673121AE80, 16 bytes long.
 Data: <    &#246;           > 10 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002673121B330, 16 bytes long.
 Data: <p   &#246;           > 70 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002673121B100, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 00 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra