Task 38615911

Name hif2a_2_A39_A17_r0_5-QUICO_ATM_OpenFF_NAGL_hif2a_2-0-6-RND5225_2
Workunit 31567744
Created 17 Apr 2026, 17:47:12 UTC
Sent 17 Apr 2026, 17:51:06 UTC
Report deadline 22 Apr 2026, 17:51:06 UTC
Received 17 Apr 2026, 17:53:39 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 4 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 51.75 MB
Peak swap size 36.88 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>
19:51:51 (20592): wrapper (7.9.26016): starting
19:51:51 (20592): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A17_0.pdb
QB_A39_A17_0.xml
QB_A39_A17.inpcrd
QB_A39_A17_input.yaml
QB_A39_A17.pdb
QB_A39_A17.prmtop
QB_A39_A17_sys.xml
run.bat
run.sh
19:51:52 (20592): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:51:52 (20592): 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 0x000001F71A51FC90>: 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 0x000001F71A528950>: 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 0x000001F71A528F90>: 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 0x000001F71A529910>: 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 0x000001F71A52A390>: 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 0x00000178F06E5550>: 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 0x00000178F06E6310>: 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 0x00000178F06E6F50>: 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 0x00000178F06E7BD0>: 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 0x00000178F06F04D0>: 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
19:52:13 (20592): C:/Windows/system32/cmd.exe exited; CPU time 1.296875
19:52:13 (20592): app exit status: 0x16
19:52:13 (20592): 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: 425099 bytes.
Dumping objects ->
{3835555} normal block at 0x0000019C008E59F0, 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 0x0000019C024E5100, 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 0x0000019C024E5160, 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 0x0000019C024E5AC0, 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 0x0000019C024E5280, 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 0x0000019C008E5980, 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 0x0000019C0093CE00, 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 0x0000019C008DB750, 8 bytes long.
 Data: <    &#156;   > 00 00 88 00 9C 01 00 00 
{3834691} normal block at 0x0000019C0093C850, 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 0x0000019C008DB2F0, 8 bytes long.
 Data: <`&#221;&#140; &#156;   > 60 DD 8C 00 9C 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019C008D1B60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019C008D2B50, 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 0x0000019C008E6380, 16 bytes long.
 Data: < t&#142; &#156;           > 88 74 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019C008E6A60, 16 bytes long.
 Data: <`t&#142; &#156;           > 60 74 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019C008E0390, 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 0x0000019C008E68D0, 16 bytes long.
 Data: <8t&#142; &#156;           > 38 74 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019C008E6290, 16 bytes long.
 Data: < t&#142; &#156;           > 10 74 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019C008E6240, 16 bytes long.
 Data: <&#232;s&#142; &#156;           > E8 73 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019C008E70A0, 16 bytes long.
 Data: <&#192;s&#142; &#156;           > C0 73 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019C008E58A0, 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 0x0000019C008E6F60, 16 bytes long.
 Data: <&#168;   &#156;           > A8 0D 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019C008E0C30, 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 0x0000019C008E65B0, 16 bytes long.
 Data: <    &#156;           > 80 0D 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019C008E6AB0, 16 bytes long.
 Data: <X   &#156;           > 58 0D 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019C008E6560, 16 bytes long.
 Data: <0   &#156;           > 30 0D 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019C008E6470, 16 bytes long.
 Data: <    &#156;           > 08 0D 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019C008E6E70, 16 bytes long.
 Data: <&#224;   &#156;           > E0 0C 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019C008E7050, 16 bytes long.
 Data: <&#184;   &#156;           > B8 0C 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019C008E0990, 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 0x0000019C008E6830, 16 bytes long.
 Data: <    &#156;           > 90 0C 8D 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019C008D0C90, 320 bytes long.
 Data: <0h&#142; &#156;    	&#142; &#156;   > 30 68 8E 00 9C 01 00 00 90 09 8E 00 9C 01 00 00 
{277} normal block at 0x0000019C008E6970, 16 bytes long.
 Data: <&#160;s&#142; &#156;           > A0 73 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019C008E6A10, 16 bytes long.
 Data: <xs&#142; &#156;           > 78 73 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019C008E0930, 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 0x0000019C008E6F10, 16 bytes long.
 Data: <Ps&#142; &#156;           > 50 73 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019C008E0210, 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 0x0000019C008E61A0, 16 bytes long.
 Data: < r&#142; &#156;           > 98 72 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019C008E6DD0, 16 bytes long.
 Data: <pr&#142; &#156;           > 70 72 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019C008E6D80, 16 bytes long.
 Data: <Hr&#142; &#156;           > 48 72 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019C008E6C90, 16 bytes long.
 Data: < r&#142; &#156;           > 20 72 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019C008E61F0, 16 bytes long.
 Data: <&#248;q&#142; &#156;           > F8 71 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019C008E7000, 16 bytes long.
 Data: <&#208;q&#142; &#156;           > D0 71 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019C008E6FB0, 16 bytes long.
 Data: < V&#142; &#156;           > 00 56 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019C008E5600, 40 bytes long.
 Data: <&#176;o&#142; &#156;    Y&#142; &#156;   > B0 6F 8E 00 9C 01 00 00 80 59 8E 00 9C 01 00 00 
{263} normal block at 0x0000019C008E6600, 16 bytes long.
 Data: <&#176;q&#142; &#156;           > B0 71 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019C008E6B50, 16 bytes long.
 Data: < q&#142; &#156;           > 88 71 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019C008E0D50, 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 0x0000019C008E70F0, 16 bytes long.
 Data: <`q&#142; &#156;           > 60 71 8E 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019C008E7160, 992 bytes long.
 Data: <&#240;p&#142; &#156;   P &#142; &#156;   > F0 70 8E 00 9C 01 00 00 50 0D 8E 00 9C 01 00 00 
{95} normal block at 0x0000019C008E08D0, 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 0x0000019C008DB2A0, 16 bytes long.
 Data: < &#199;&#140; &#156;           > 00 C7 8C 00 9C 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019C008CC700, 40 bytes long.
 Data: <&#160;&#178;  &#156;   &#208; &#142; &#156;   > A0 B2 8D 00 9C 01 00 00 D0 08 8E 00 9C 01 00 00 
{72} normal block at 0x0000019C008DB700, 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 0x0000019C008DBB60, 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 0x0000019C008DB430, 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 0x0000019C008DB980, 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 0x0000019C008DAE40, 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 0x0000019C008DAEE0, 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 0x0000019C008DB5C0, 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 0x0000019C008DB6B0, 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 0x0000019C008DBAC0, 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 0x0000019C008DB160, 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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