Task 38615507
| Name | MCL1_A19_A25_r0_3-QUICO_ATM_OpenFF_MCL1-1-6-RND9315_1 |
| Workunit | 31567259 |
| Created | 17 Apr 2026, 16:51:04 UTC |
| Sent | 17 Apr 2026, 17:53:39 UTC |
| Report deadline | 22 Apr 2026, 17:53:39 UTC |
| Received | 17 Apr 2026, 17:57:02 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 | 51.76 MB |
| Peak swap size | 37.04 MB |
| Peak disk usage | 1.54 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>
19:54:33 (16876): wrapper (7.9.26016): starting
19:54:33 (16876): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A25_0.pdb
QB_A19_A25_0.xml
QB_A19_A25.inpcrd
QB_A19_A25_input.yaml
QB_A19_A25.pdb
QB_A19_A25.prmtop
QB_A19_A25_sys.xml
run.bat
run.sh
19:54:34 (16876): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:54:34 (16876): 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 0x0000024D89DB9A90>: 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 0x0000024D8AFA07D0>: 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 0x0000024D8AFA0DD0>: 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 0x0000024D8AFA19D0>: 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 0x0000024D8AFA2190>: 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 0x000002960E675510>: 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 0x000002960E676250>: 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 0x000002960E676E50>: 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 0x000002960E677A90>: 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 0x000002960E684390>: 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
19:54:59 (16876): C:/Windows/system32/cmd.exe exited; CPU time 1.156250
19:54:59 (16876): app exit status: 0x16
19:54:59 (16876): 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: 526783 bytes.
Dumping objects ->
{3835555} normal block at 0x000001C0A46656C0, 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 0x000001C0A6362820, 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 0x000001C0A63627C0, 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 0x000001C0A63628E0, 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 0x000001C0A63626A0, 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 0x000001C0A4665C70, 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 0x000001C0A46BD1F0, 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 0x000001C0A465BAF0, 8 bytes long.
Data: < ¦¤À > 00 00 A6 A4 C0 01 00 00
{3834691} normal block at 0x000001C0A46BD600, 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 0x000001C0A465B280, 8 bytes long.
Data: <`Ýd¤À > 60 DD 64 A4 C0 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001C0A4651150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C0A4652630, 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 0x000001C0A4666BD0, 16 bytes long.
Data: <htf¤À > 68 74 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001C0A46670D0, 16 bytes long.
Data: <@tf¤À > 40 74 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C0A4660C70, 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 0x000001C0A46664F0, 16 bytes long.
Data: < tf¤À > 18 74 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C0A4666DB0, 16 bytes long.
Data: <ðsf¤À > F0 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C0A4667080, 16 bytes long.
Data: <Èsf¤À > C8 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C0A4666860, 16 bytes long.
Data: < sf¤À > A0 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C0A4665730, 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 0x000001C0A4666720, 16 bytes long.
Data: < e¤À > 98 0D 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C0A4660850, 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 0x000001C0A4667030, 16 bytes long.
Data: <p e¤À > 70 0D 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C0A46669F0, 16 bytes long.
Data: <H e¤À > 48 0D 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C0A4666CC0, 16 bytes long.
Data: < e¤À > 20 0D 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C0A4666900, 16 bytes long.
Data: <ø e¤À > F8 0C 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C0A46664A0, 16 bytes long.
Data: <Ð e¤À > D0 0C 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C0A4666590, 16 bytes long.
Data: <¨ e¤À > A8 0C 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C0A4660BB0, 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 0x000001C0A46669A0, 16 bytes long.
Data: < e¤À > 80 0C 65 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C0A4650C80, 320 bytes long.
Data: < if¤À ° f¤À > A0 69 66 A4 C0 01 00 00 B0 0B 66 A4 C0 01 00 00
{277} normal block at 0x000001C0A4666FE0, 16 bytes long.
Data: < sf¤À > 80 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C0A46666D0, 16 bytes long.
Data: <Xsf¤À > 58 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C0A46607F0, 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 0x000001C0A4666C20, 16 bytes long.
Data: <0sf¤À > 30 73 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C0A4660670, 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 0x000001C0A4666680, 16 bytes long.
Data: <xrf¤À > 78 72 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C0A4666B80, 16 bytes long.
Data: <Prf¤À > 50 72 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C0A4666770, 16 bytes long.
Data: <(rf¤À > 28 72 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C0A4666E50, 16 bytes long.
Data: < rf¤À > 00 72 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C0A46668B0, 16 bytes long.
Data: <Øqf¤À > D8 71 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C0A4666F90, 16 bytes long.
Data: <°qf¤À > B0 71 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C0A4666AE0, 16 bytes long.
Data: < [f¤À > 20 5B 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C0A4665B20, 40 bytes long.
Data: <àjf¤À p\f¤À > E0 6A 66 A4 C0 01 00 00 70 5C 66 A4 C0 01 00 00
{263} normal block at 0x000001C0A4666450, 16 bytes long.
Data: < qf¤À > 90 71 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C0A4666180, 16 bytes long.
Data: <hqf¤À > 68 71 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C0A4660370, 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 0x000001C0A4666400, 16 bytes long.
Data: <@qf¤À > 40 71 66 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C0A4667140, 992 bytes long.
Data: < df¤À p f¤À > 00 64 66 A4 C0 01 00 00 70 03 66 A4 C0 01 00 00
{95} normal block at 0x000001C0A4660C10, 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 0x000001C0A465BB90, 16 bytes long.
Data: < Çd¤À > 00 C7 64 A4 C0 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001C0A464C700, 40 bytes long.
Data: < »e¤À f¤À > 90 BB 65 A4 C0 01 00 00 10 0C 66 A4 C0 01 00 00
{72} normal block at 0x000001C0A465B5A0, 16 bytes long.
Data: < ê ö > 80 EA 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C0A465AE70, 16 bytes long.
Data: <@é ö > 40 E9 05 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C0A465AE20, 16 bytes long.
Data: <øW ö > F8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C0A465B370, 16 bytes long.
Data: <ØW ö > D8 57 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C0A465ADD0, 16 bytes long.
Data: <P ö > 50 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C0A465B6E0, 16 bytes long.
Data: <0 ö > 30 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C0A465B190, 16 bytes long.
Data: <à ö > E0 02 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C0A465B0A0, 16 bytes long.
Data: < ö > 10 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C0A465B410, 16 bytes long.
Data: <p ö > 70 04 02 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C0A465B320, 16 bytes long.
Data: < À ö > 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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