Task 38627783

Name PTP1B_A07_A16_r0_3-QUICO_ATM_OpenFF23_NAGL_PTP1B-2-6-RND2294_1
Workunit 31577502
Created 24 Apr 2026, 13:18:35 UTC
Sent 24 Apr 2026, 13:19:24 UTC
Report deadline 29 Apr 2026, 13:19:24 UTC
Received 24 Apr 2026, 13:22:27 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 52.07 MB
Peak swap size 37.28 MB
Peak disk usage 1.56 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>
15:20:15 (3648): wrapper (7.9.26016): starting
15:20:15 (3648): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A16_0.pdb
QB_A07_A16_0.xml
QB_A07_A16.inpcrd
QB_A07_A16_input.yaml
QB_A07_A16.pdb
QB_A07_A16.prmtop
QB_A07_A16_sys.xml
run.bat
run.sh
15:20:16 (3648): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:20:16 (3648): 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 0x000001FDADE4FD10>: 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 0x000001FDADE58990>: 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 0x000001FDADE58F90>: 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 0x000001FDADE59B90>: 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 0x000001FDADE5A4D0>: 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 0x00000163204E5410>: 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 0x00000163204E6090>: 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 0x00000163204E6CD0>: 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 0x00000163204E7950>: 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 0x00000163204F4250>: 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\\5\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
15:20:42 (3648): C:/Windows/system32/cmd.exe exited; CPU time 1.281250
15:20:42 (3648): app exit status: 0x16
15:20:42 (3648): 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: 498013 bytes.
Dumping objects ->
{3835555} normal block at 0x000001B6FA025AB0, 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 0x000001B6FBDD78C0, 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 0x000001B6FBDD6480, 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 0x000001B6FBDD6180, 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 0x000001B6FBDD6A80, 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 0x000001B6FA0256C0, 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 0x000001B6FA07D050, 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 0x000001B6FA01B910, 8 bytes long.
 Data: <  U&#250;&#182;   > 00 00 55 FA B6 01 00 00 
{3834691} normal block at 0x000001B6FA07BDA0, 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 0x000001B6FA01B000, 8 bytes long.
 Data: <`&#221; &#250;&#182;   > 60 DD 00 FA B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B6FA010ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B6FA012510, 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 0x000001B6FA026770, 16 bytes long.
 Data: <ht &#250;&#182;           > 68 74 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B6FA026720, 16 bytes long.
 Data: <@t &#250;&#182;           > 40 74 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B6FA020BB0, 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 0x000001B6FA026EA0, 16 bytes long.
 Data: < t &#250;&#182;           > 18 74 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B6FA026400, 16 bytes long.
 Data: <&#240;s &#250;&#182;           > F0 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B6FA0270D0, 16 bytes long.
 Data: <&#200;s &#250;&#182;           > C8 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B6FA0266D0, 16 bytes long.
 Data: <&#160;s &#250;&#182;           > A0 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B6FA0257A0, 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 0x000001B6FA027080, 16 bytes long.
 Data: <   &#250;&#182;           > 98 0D 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B6FA020DF0, 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 0x000001B6FA0263B0, 16 bytes long.
 Data: <p  &#250;&#182;           > 70 0D 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B6FA0265E0, 16 bytes long.
 Data: <H  &#250;&#182;           > 48 0D 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B6FA026590, 16 bytes long.
 Data: <   &#250;&#182;           > 20 0D 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B6FA026B80, 16 bytes long.
 Data: <&#248;  &#250;&#182;           > F8 0C 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B6FA026540, 16 bytes long.
 Data: <&#208;  &#250;&#182;           > D0 0C 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B6FA027030, 16 bytes long.
 Data: <&#168;  &#250;&#182;           > A8 0C 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B6FA020CD0, 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 0x000001B6FA026360, 16 bytes long.
 Data: <   &#250;&#182;           > 80 0C 01 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B6FA010C80, 320 bytes long.
 Data: <`c &#250;&#182;   &#208;  &#250;&#182;   > 60 63 02 FA B6 01 00 00 D0 0C 02 FA B6 01 00 00 
{277} normal block at 0x000001B6FA026450, 16 bytes long.
 Data: < s &#250;&#182;           > 80 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B6FA026680, 16 bytes long.
 Data: <Xs &#250;&#182;           > 58 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B6FA0208B0, 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 0x000001B6FA026FE0, 16 bytes long.
 Data: <0s &#250;&#182;           > 30 73 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B6FA020850, 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 0x000001B6FA026B30, 16 bytes long.
 Data: <xr &#250;&#182;           > 78 72 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B6FA026D60, 16 bytes long.
 Data: <Pr &#250;&#182;           > 50 72 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B6FA026C70, 16 bytes long.
 Data: <(r &#250;&#182;           > 28 72 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B6FA026F90, 16 bytes long.
 Data: < r &#250;&#182;           > 00 72 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B6FA0264F0, 16 bytes long.
 Data: <&#216;q &#250;&#182;           > D8 71 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B6FA026900, 16 bytes long.
 Data: <&#176;q &#250;&#182;           > B0 71 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B6FA026310, 16 bytes long.
 Data: <pU &#250;&#182;           > 70 55 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B6FA025570, 40 bytes long.
 Data: < c &#250;&#182;   &#192;V &#250;&#182;   > 10 63 02 FA B6 01 00 00 C0 56 02 FA B6 01 00 00 
{263} normal block at 0x000001B6FA0262C0, 16 bytes long.
 Data: < q &#250;&#182;           > 90 71 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B6FA026180, 16 bytes long.
 Data: <hq &#250;&#182;           > 68 71 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B6FA0206D0, 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 0x000001B6FA0264A0, 16 bytes long.
 Data: <@q &#250;&#182;           > 40 71 02 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B6FA027140, 992 bytes long.
 Data: <&#160;d &#250;&#182;   &#208;  &#250;&#182;   > A0 64 02 FA B6 01 00 00 D0 06 02 FA B6 01 00 00 
{95} normal block at 0x000001B6FA021030, 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 0x000001B6FA01B0A0, 16 bytes long.
 Data: < &#199; &#250;&#182;           > 00 C7 00 FA B6 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B6FA00C700, 40 bytes long.
 Data: <&#160;&#176; &#250;&#182;   0  &#250;&#182;   > A0 B0 01 FA B6 01 00 00 30 10 02 FA B6 01 00 00 
{72} normal block at 0x000001B6FA01AEC0, 16 bytes long.
 Data: < &#234;oM&#246;           > 80 EA 6F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B6FA01BAA0, 16 bytes long.
 Data: <@&#233;oM&#246;           > 40 E9 6F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B6FA01BC30, 16 bytes long.
 Data: <&#248;WlM&#246;           > F8 57 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B6FA01BA00, 16 bytes long.
 Data: <&#216;WlM&#246;           > D8 57 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B6FA01BB90, 16 bytes long.
 Data: <P lM&#246;           > 50 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B6FA01BA50, 16 bytes long.
 Data: <0 lM&#246;           > 30 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B6FA01B500, 16 bytes long.
 Data: <&#224; lM&#246;           > E0 02 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B6FA01B4B0, 16 bytes long.
 Data: <  lM&#246;           > 10 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B6FA01B7D0, 16 bytes long.
 Data: <p lM&#246;           > 70 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B6FA01B410, 16 bytes long.
 Data: < &#192;jM&#246;           > 18 C0 6A 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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