Task 38616618

Name hif2a_2_A32_A17_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-1-6-RND2767_1
Workunit 31568426
Created 17 Apr 2026, 21:43:32 UTC
Sent 17 Apr 2026, 21:43:52 UTC
Report deadline 22 Apr 2026, 21:43:52 UTC
Received 17 Apr 2026, 21:47:06 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 8 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 51.95 MB
Peak swap size 36.90 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>
23:44:43 (16888): wrapper (7.9.26016): starting
23:44:43 (16888): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A17_0.pdb
QB_A32_A17_0.xml
QB_A32_A17.inpcrd
QB_A32_A17_input.yaml
QB_A32_A17.pdb
QB_A32_A17.prmtop
QB_A32_A17_sys.xml
run.bat
run.sh
23:44:44 (16888): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:44 (16888): 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 0x000001856610FCD0>: 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 0x0000018566118950>: 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 0x00000185661191D0>: 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 0x0000018566119B90>: 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 0x000001856611A290>: 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 0x000001E486D75410>: 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 0x000001E486D760D0>: 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 0x000001E486D76D10>: 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 0x000001E486D77990>: 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 0x000001E486D84290>: 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
23:45:09 (16888): C:/Windows/system32/cmd.exe exited; CPU time 1.406250
23:45:09 (16888): app exit status: 0x16
23:45:09 (16888): 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: 476069 bytes.
Dumping objects ->
{3835555} normal block at 0x000002CC35575C00, 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 0x000002CC37160720, 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 0x000002CC371618C0, 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 0x000002CC371604E0, 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 0x000002CC37161620, 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 0x000002CC35575B90, 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 0x000002CC355CCC40, 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 0x000002CC3556BD20, 8 bytes long.
 Data: <  &#134;5&#204;   > 00 00 86 35 CC 02 00 00 
{3834691} normal block at 0x000002CC355CBC00, 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 0x000002CC3556B460, 8 bytes long.
 Data: <`&#221;U5&#204;   > 60 DD 55 35 CC 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002CC355613D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002CC35562900, 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 0x000002CC35576950, 16 bytes long.
 Data: <htW5&#204;           > 68 74 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002CC355769F0, 16 bytes long.
 Data: <@tW5&#204;           > 40 74 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002CC355701F0, 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 0x000002CC35576810, 16 bytes long.
 Data: < tW5&#204;           > 18 74 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002CC35576770, 16 bytes long.
 Data: <&#240;sW5&#204;           > F0 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002CC35576310, 16 bytes long.
 Data: <&#200;sW5&#204;           > C8 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002CC35576220, 16 bytes long.
 Data: <&#160;sW5&#204;           > A0 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002CC35575810, 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 0x000002CC355762C0, 16 bytes long.
 Data: <  V5&#204;           > 98 0D 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002CC35570910, 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 0x000002CC35576720, 16 bytes long.
 Data: <p V5&#204;           > 70 0D 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002CC355764A0, 16 bytes long.
 Data: <H V5&#204;           > 48 0D 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CC35576180, 16 bytes long.
 Data: <  V5&#204;           > 20 0D 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CC35576F40, 16 bytes long.
 Data: <&#248; V5&#204;           > F8 0C 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CC355766D0, 16 bytes long.
 Data: <&#208; V5&#204;           > D0 0C 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CC35576630, 16 bytes long.
 Data: <&#168; V5&#204;           > A8 0C 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002CC35571090, 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 0x000002CC35576680, 16 bytes long.
 Data: <  V5&#204;           > 80 0C 56 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002CC35560C80, 320 bytes long.
 Data: < fW5&#204;     W5&#204;   > 80 66 57 35 CC 02 00 00 90 10 57 35 CC 02 00 00 
{277} normal block at 0x000002CC35576540, 16 bytes long.
 Data: < sW5&#204;           > 80 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CC35576C70, 16 bytes long.
 Data: <XsW5&#204;           > 58 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CC35570E50, 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 0x000002CC35576B30, 16 bytes long.
 Data: <0sW5&#204;           > 30 73 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CC35570B50, 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 0x000002CC35576EA0, 16 bytes long.
 Data: <xrW5&#204;           > 78 72 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CC35576E00, 16 bytes long.
 Data: <PrW5&#204;           > 50 72 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002CC355764F0, 16 bytes long.
 Data: <(rW5&#204;           > 28 72 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CC35577080, 16 bytes long.
 Data: < rW5&#204;           > 00 72 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002CC35576900, 16 bytes long.
 Data: <&#216;qW5&#204;           > D8 71 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CC35576A90, 16 bytes long.
 Data: <&#176;qW5&#204;           > B0 71 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002CC35576EF0, 16 bytes long.
 Data: < XW5&#204;           > 80 58 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CC35575880, 40 bytes long.
 Data: <&#240;nW5&#204;    [W5&#204;   > F0 6E 57 35 CC 02 00 00 90 5B 57 35 CC 02 00 00 
{263} normal block at 0x000002CC35576B80, 16 bytes long.
 Data: < qW5&#204;           > 90 71 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CC355768B0, 16 bytes long.
 Data: <hqW5&#204;           > 68 71 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CC35570C10, 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 0x000002CC35576A40, 16 bytes long.
 Data: <@qW5&#204;           > 40 71 57 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CC35577140, 992 bytes long.
 Data: <@jW5&#204;     W5&#204;   > 40 6A 57 35 CC 02 00 00 10 0C 57 35 CC 02 00 00 
{95} normal block at 0x000002CC35570670, 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 0x000002CC3556BAF0, 16 bytes long.
 Data: < &#199;U5&#204;           > 00 C7 55 35 CC 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002CC3555C700, 40 bytes long.
 Data: <&#240;&#186;V5&#204;   p W5&#204;   > F0 BA 56 35 CC 02 00 00 70 06 57 35 CC 02 00 00 
{72} normal block at 0x000002CC3556AFB0, 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 0x000002CC3556ADD0, 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 0x000002CC3556B230, 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 0x000002CC3556B960, 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 0x000002CC3556B5F0, 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 0x000002CC3556B7D0, 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 0x000002CC3556B280, 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 0x000002CC3556B1E0, 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 0x000002CC3556B5A0, 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 0x000002CC3556B2D0, 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