Task 38608913

Name BACE_A27_A05_r0_2-QUICO_ATM_GAFF2_NAGL_BACE-5-6-RND1409_0
Workunit 31562090
Created 14 Apr 2026, 19:29:29 UTC
Sent 14 Apr 2026, 19:29:39 UTC
Report deadline 19 Apr 2026, 19:29:39 UTC
Received 14 Apr 2026, 19:32:48 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 9 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 51.35 MB
Peak swap size 37.16 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>
21:30:36 (25804): wrapper (7.9.26016): starting
21:30:36 (25804): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A05_0.pdb
QB_A27_A05_0.xml
QB_A27_A05.inpcrd
QB_A27_A05_input.yaml
QB_A27_A05.pdb
QB_A27_A05.prmtop
QB_A27_A05_sys.xml
run.bat
run.sh
21:30:37 (25804): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:30:37 (25804): 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 0x00000213027FFD10>: 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 0x0000021302808A10>: 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 0x0000021302809250>: 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 0x0000021302809950>: 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 0x000002130280A390>: 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 0x000001EBAAED5290>: 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 0x000001EBAAED60D0>: 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 0x000001EBAAED6D10>: 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 0x000001EBAAED7950>: 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 0x000001EBAAEE4250>: 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
21:31:03 (25804): C:/Windows/system32/cmd.exe exited; CPU time 1.453125
21:31:03 (25804): app exit status: 0x16
21:31:03 (25804): 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: 495549 bytes.
Dumping objects ->
{3835555} normal block at 0x000002299C2256E0, 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 0x000002299DF30D80, 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 0x000002299DF31140, 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 0x000002299DF30B40, 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 0x000002299DF30960, 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 0x000002299C225670, 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 0x000002299C27BDC0, 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 0x000002299C21B7A0, 8 bytes long.
 Data: <   &#156;)   > 00 00 1B 9C 29 02 00 00 
{3834691} normal block at 0x000002299C27BE90, 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 0x000002299C21B020, 8 bytes long.
 Data: <P&#221; &#156;)   > 50 DD 20 9C 29 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002299C2118C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002299C212080, 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 0x000002299C226A10, 16 bytes long.
 Data: < t"&#156;)           > 88 74 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002299C2262E0, 16 bytes long.
 Data: <`t"&#156;)           > 60 74 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002299C220E10, 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 0x000002299C2265B0, 16 bytes long.
 Data: <8t"&#156;)           > 38 74 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002299C226790, 16 bytes long.
 Data: < t"&#156;)           > 10 74 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002299C226290, 16 bytes long.
 Data: <&#232;s"&#156;)           > E8 73 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002299C226CE0, 16 bytes long.
 Data: <&#192;s"&#156;)           > C0 73 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002299C225AD0, 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 0x000002299C226BA0, 16 bytes long.
 Data: <  !&#156;)           > 88 0D 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002299C220E70, 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 0x000002299C227050, 16 bytes long.
 Data: <` !&#156;)           > 60 0D 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002299C226240, 16 bytes long.
 Data: <8 !&#156;)           > 38 0D 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002299C227000, 16 bytes long.
 Data: <  !&#156;)           > 10 0D 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002299C226740, 16 bytes long.
 Data: <&#232; !&#156;)           > E8 0C 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002299C2269C0, 16 bytes long.
 Data: <&#192; !&#156;)           > C0 0C 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002299C226EC0, 16 bytes long.
 Data: <  !&#156;)           > 98 0C 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002299C2210B0, 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 0x000002299C226470, 16 bytes long.
 Data: <p !&#156;)           > 70 0C 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002299C210C70, 320 bytes long.
 Data: <pd"&#156;)   &#176; "&#156;)   > 70 64 22 9C 29 02 00 00 B0 10 22 9C 29 02 00 00 
{277} normal block at 0x000002299C226330, 16 bytes long.
 Data: <&#160;s"&#156;)           > A0 73 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002299C226560, 16 bytes long.
 Data: <xs"&#156;)           > 78 73 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002299C220ED0, 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 0x000002299C226650, 16 bytes long.
 Data: <Ps"&#156;)           > 50 73 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002299C221050, 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 0x000002299C226C90, 16 bytes long.
 Data: < r"&#156;)           > 98 72 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002299C226600, 16 bytes long.
 Data: <pr"&#156;)           > 70 72 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002299C226970, 16 bytes long.
 Data: <Hr"&#156;)           > 48 72 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002299C226920, 16 bytes long.
 Data: < r"&#156;)           > 20 72 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002299C2268D0, 16 bytes long.
 Data: <&#248;q"&#156;)           > F8 71 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002299C226F10, 16 bytes long.
 Data: <&#208;q"&#156;)           > D0 71 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002299C226B50, 16 bytes long.
 Data: < \"&#156;)           > 20 5C 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002299C225C20, 40 bytes long.
 Data: <Pk"&#156;)   pV"&#156;)   > 50 6B 22 9C 29 02 00 00 70 56 22 9C 29 02 00 00 
{263} normal block at 0x000002299C2267E0, 16 bytes long.
 Data: <&#176;q"&#156;)           > B0 71 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002299C2263D0, 16 bytes long.
 Data: < q"&#156;)           > 88 71 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002299C220930, 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 0x000002299C2261F0, 16 bytes long.
 Data: <`q"&#156;)           > 60 71 22 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002299C227160, 992 bytes long.
 Data: <&#240;a"&#156;)   0	"&#156;)   > F0 61 22 9C 29 02 00 00 30 09 22 9C 29 02 00 00 
{95} normal block at 0x000002299C220F90, 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 0x000002299C21B430, 16 bytes long.
 Data: <&#224;	!&#156;)           > E0 09 21 9C 29 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002299C2109E0, 40 bytes long.
 Data: <0&#180;!&#156;)     "&#156;)   > 30 B4 21 9C 29 02 00 00 90 0F 22 9C 29 02 00 00 
{72} normal block at 0x000002299C21BBB0, 16 bytes long.
 Data: < &#234;&#237; &#246;           > 80 EA ED 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002299C21B610, 16 bytes long.
 Data: <@&#233;&#237; &#246;           > 40 E9 ED 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002299C21BAC0, 16 bytes long.
 Data: <&#248;W&#234; &#246;           > F8 57 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002299C21BD40, 16 bytes long.
 Data: <&#216;W&#234; &#246;           > D8 57 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002299C21AE90, 16 bytes long.
 Data: <P &#234; &#246;           > 50 04 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002299C21B0C0, 16 bytes long.
 Data: <0 &#234; &#246;           > 30 04 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002299C21B700, 16 bytes long.
 Data: <&#224; &#234; &#246;           > E0 02 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002299C21B5C0, 16 bytes long.
 Data: <  &#234; &#246;           > 10 04 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002299C21AF30, 16 bytes long.
 Data: <p &#234; &#246;           > 70 04 EA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002299C21B390, 16 bytes long.
 Data: < &#192;&#232; &#246;           > 18 C0 E8 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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