Task 38615602

Name p38_2_A27_A23_r0_2-QUICO_ATM_OpenFF_NAGL_p38_2-0-6-RND2297_0
Workunit 31567900
Created 17 Apr 2026, 16:52:44 UTC
Sent 17 Apr 2026, 17:30:37 UTC
Report deadline 22 Apr 2026, 17:30:37 UTC
Received 17 Apr 2026, 17:33:45 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 6 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 52.11 MB
Peak swap size 37.08 MB
Peak disk usage 1.42 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>
19:31:23 (3956): wrapper (7.9.26016): starting
19:31:23 (3956): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A23_0.pdb
QB_A27_A23_0.xml
QB_A27_A23.inpcrd
QB_A27_A23_input.yaml
QB_A27_A23.pdb
QB_A27_A23.prmtop
QB_A27_A23_sys.xml
run.bat
run.sh
19:31:24 (3956): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:31:24 (3956): 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 0x000002651865FCD0>: 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 0x0000026518668950>: 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 0x00000265186691D0>: 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 0x0000026518669B90>: 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 0x000002651866A290>: 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 0x0000026BAC6B5410>: 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 0x0000026BAC6B6090>: 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 0x0000026BAC6B6CD0>: 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 0x0000026BAC6B7950>: 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 0x0000026BAC6C4250>: 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
19:31:47 (3956): C:/Windows/system32/cmd.exe exited; CPU time 1.343750
19:31:47 (3956): app exit status: 0x16
19:31:47 (3956): 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: 422401 bytes.
Dumping objects ->
{3835555} normal block at 0x000002AE2D1B5C00, 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 0x000002AE2EF27620, 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 0x000002AE2EF26DE0, 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 0x000002AE2EF27200, 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 0x000002AE2EF27560, 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 0x000002AE2D1B56C0, 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 0x000002AE2D20C9D0, 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 0x000002AE2D1AB050, 8 bytes long.
 Data: <  W-&#174;   > 00 00 57 2D AE 02 00 00 
{3834691} normal block at 0x000002AE2D20D050, 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 0x000002AE2D1ABBE0, 8 bytes long.
 Data: <`&#221; -&#174;   > 60 DD 19 2D AE 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002AE2D1A1C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002AE2D1A2120, 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 0x000002AE2D1B69A0, 16 bytes long.
 Data: <ht -&#174;           > 68 74 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002AE2D1B6FE0, 16 bytes long.
 Data: <@t -&#174;           > 40 74 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002AE2D1B0D30, 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 0x000002AE2D1B6E50, 16 bytes long.
 Data: < t -&#174;           > 18 74 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002AE2D1B6950, 16 bytes long.
 Data: <&#240;s -&#174;           > F0 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002AE2D1B6E00, 16 bytes long.
 Data: <&#200;s -&#174;           > C8 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002AE2D1B6A40, 16 bytes long.
 Data: <&#160;s -&#174;           > A0 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002AE2D1B5C70, 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 0x000002AE2D1B6D60, 16 bytes long.
 Data: <   -&#174;           > 98 0D 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002AE2D1B0DF0, 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 0x000002AE2D1B6360, 16 bytes long.
 Data: <p  -&#174;           > 70 0D 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002AE2D1B6770, 16 bytes long.
 Data: <H  -&#174;           > 48 0D 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002AE2D1B6450, 16 bytes long.
 Data: <   -&#174;           > 20 0D 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002AE2D1B6BD0, 16 bytes long.
 Data: <&#248;  -&#174;           > F8 0C 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002AE2D1B6180, 16 bytes long.
 Data: <&#208;  -&#174;           > D0 0C 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002AE2D1B6B80, 16 bytes long.
 Data: <&#168;  -&#174;           > A8 0C 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002AE2D1B05B0, 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 0x000002AE2D1B6590, 16 bytes long.
 Data: <   -&#174;           > 80 0C 1A 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002AE2D1A0C80, 320 bytes long.
 Data: < e -&#174;   &#176;  -&#174;   > 90 65 1B 2D AE 02 00 00 B0 05 1B 2D AE 02 00 00 
{277} normal block at 0x000002AE2D1B6CC0, 16 bytes long.
 Data: < s -&#174;           > 80 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002AE2D1B6AE0, 16 bytes long.
 Data: <Xs -&#174;           > 58 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002AE2D1B08B0, 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 0x000002AE2D1B70D0, 16 bytes long.
 Data: <0s -&#174;           > 30 73 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002AE2D1B0550, 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 0x000002AE2D1B6D10, 16 bytes long.
 Data: <xr -&#174;           > 78 72 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002AE2D1B68B0, 16 bytes long.
 Data: <Pr -&#174;           > 50 72 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002AE2D1B6C70, 16 bytes long.
 Data: <(r -&#174;           > 28 72 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002AE2D1B6A90, 16 bytes long.
 Data: < r -&#174;           > 00 72 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002AE2D1B6310, 16 bytes long.
 Data: <&#216;q -&#174;           > D8 71 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002AE2D1B6C20, 16 bytes long.
 Data: <&#176;q -&#174;           > B0 71 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002AE2D1B6F90, 16 bytes long.
 Data: <&#160;W -&#174;           > A0 57 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002AE2D1B57A0, 40 bytes long.
 Data: < o -&#174;   &#192;V -&#174;   > 90 6F 1B 2D AE 02 00 00 C0 56 1B 2D AE 02 00 00 
{263} normal block at 0x000002AE2D1B6270, 16 bytes long.
 Data: < q -&#174;           > 90 71 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002AE2D1B64F0, 16 bytes long.
 Data: <hq -&#174;           > 68 71 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002AE2D1B0D90, 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 0x000002AE2D1B7030, 16 bytes long.
 Data: <@q -&#174;           > 40 71 1B 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002AE2D1B7140, 992 bytes long.
 Data: <0p -&#174;      -&#174;   > 30 70 1B 2D AE 02 00 00 90 0D 1B 2D AE 02 00 00 
{95} normal block at 0x000002AE2D1B01F0, 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 0x000002AE2D1AB6E0, 16 bytes long.
 Data: < &#199; -&#174;           > 00 C7 19 2D AE 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002AE2D19C700, 40 bytes long.
 Data: <&#224;&#182; -&#174;   &#240;  -&#174;   > E0 B6 1A 2D AE 02 00 00 F0 01 1B 2D AE 02 00 00 
{72} normal block at 0x000002AE2D1AAF10, 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 0x000002AE2D1AAE20, 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 0x000002AE2D1AB0F0, 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 0x000002AE2D1ABCD0, 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 0x000002AE2D1AB690, 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 0x000002AE2D1AB410, 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 0x000002AE2D1AB3C0, 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 0x000002AE2D1AB370, 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 0x000002AE2D1AB9B0, 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 0x000002AE2D1ABAF0, 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>
]]>


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