Task 38642109

Name cdk8_A24_A01_r0_2-QUICO_ATM_OpenFF23_NAGL_cdk8-2-6-RND1597_1
Workunit 31585710
Created 4 May 2026, 20:39:54 UTC
Sent 4 May 2026, 20:40:02 UTC
Report deadline 9 May 2026, 20:40:02 UTC
Received 4 May 2026, 20:44:18 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 631182
Run time 1 min 3 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,333.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.31 MB
Peak swap size 38.27 MB
Peak disk usage 1.61 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
08:41:28 (21412): wrapper (7.9.26016): starting
08:41:28 (21412): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A01_0.pdb
QB_A24_A01_0.xml
QB_A24_A01.inpcrd
QB_A24_A01_input.yaml
QB_A24_A01.pdb
QB_A24_A01.prmtop
QB_A24_A01_sys.xml
run.bat
run.sh
08:41:29 (21412): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:41:29 (21412): 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 0x000002A5EA14BE10>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002A5EA23CC90>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002A5EA23D590>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002A5EA23DE50>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002A5EA23E790>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002B87AFB9910>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002B87AFBA2D0>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002B87AFBAE90>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002B87AFBBA90>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002B87AFD4750>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
08:41:56 (21412): C:/Windows/system32/cmd.exe exited; CPU time 1.203125
08:41:56 (21412): app exit status: 0x16
08:41:56 (21412): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 813445 bytes.
Dumping objects ->
{3835586} normal block at 0x000001B4F257D260, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x000001B4F257D9D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001B4F257D2D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x000001B4F0924D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x000001B4F0924C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x000001B4F25C9D00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835498} normal block at 0x000001B4F091AD70, 8 bytes long.
 Data: <  &#140;&#240;&#180;   > 00 00 8C F0 B4 01 00 00 
{3833961} normal block at 0x000001B4F091A4B0, 8 bytes long.
 Data: < ?&#146;&#240;&#180;   > 10 3F 92 F0 B4 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B4F0920ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001B4F090EB40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001B4F0925C80, 16 bytes long.
 Data: <he&#146;&#240;&#180;           > 68 65 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B4F09257D0, 16 bytes long.
 Data: <@e&#146;&#240;&#180;           > 40 65 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B4F09200A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001B4F0925690, 16 bytes long.
 Data: < e&#146;&#240;&#180;           > 18 65 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B4F0925640, 16 bytes long.
 Data: <&#240;d&#146;&#240;&#180;           > F0 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B4F0925780, 16 bytes long.
 Data: <&#200;d&#146;&#240;&#180;           > C8 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B4F0925B40, 16 bytes long.
 Data: <&#160;d&#146;&#240;&#180;           > A0 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B4F09247C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001B4F09255F0, 16 bytes long.
 Data: <&#168;&#245;&#145;&#240;&#180;           > A8 F5 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B4F091FF20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001B4F0925CD0, 16 bytes long.
 Data: < &#245;&#145;&#240;&#180;           > 80 F5 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B4F0925910, 16 bytes long.
 Data: <X&#245;&#145;&#240;&#180;           > 58 F5 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B4F0925BE0, 16 bytes long.
 Data: <0&#245;&#145;&#240;&#180;           > 30 F5 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B4F09255A0, 16 bytes long.
 Data: < &#245;&#145;&#240;&#180;           > 08 F5 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B4F09261D0, 16 bytes long.
 Data: <&#224;&#244;&#145;&#240;&#180;           > E0 F4 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B4F0925DC0, 16 bytes long.
 Data: <&#184;&#244;&#145;&#240;&#180;           > B8 F4 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B4F0920580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001B4F09254B0, 16 bytes long.
 Data: < &#244;&#145;&#240;&#180;           > 90 F4 91 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B4F091F490, 320 bytes long.
 Data: <&#176;T&#146;&#240;&#180;     &#146;&#240;&#180;   > B0 54 92 F0 B4 01 00 00 80 05 92 F0 B4 01 00 00 
{276} normal block at 0x000001B4F09253C0, 16 bytes long.
 Data: < d&#146;&#240;&#180;           > 80 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B4F0925550, 16 bytes long.
 Data: <Xd&#146;&#240;&#180;           > 58 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B4F091F8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001B4F0925A00, 16 bytes long.
 Data: <0d&#146;&#240;&#180;           > 30 64 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B4F0920160, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001B4F09259B0, 16 bytes long.
 Data: <xc&#146;&#240;&#180;           > 78 63 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B4F0925870, 16 bytes long.
 Data: <Pc&#146;&#240;&#180;           > 50 63 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B4F0925B90, 16 bytes long.
 Data: <(c&#146;&#240;&#180;           > 28 63 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B4F0925460, 16 bytes long.
 Data: < c&#146;&#240;&#180;           > 00 63 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B4F0926180, 16 bytes long.
 Data: <&#216;b&#146;&#240;&#180;           > D8 62 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B4F0925D20, 16 bytes long.
 Data: <&#176;b&#146;&#240;&#180;           > B0 62 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B4F0925370, 16 bytes long.
 Data: <&#224;F&#146;&#240;&#180;           > E0 46 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B4F09246E0, 40 bytes long.
 Data: <pS&#146;&#240;&#180;     \&#242;&#180;   > 70 53 92 F0 B4 01 00 00 00 9D 5C F2 B4 01 00 00 
{262} normal block at 0x000001B4F0925AF0, 16 bytes long.
 Data: < b&#146;&#240;&#180;           > 90 62 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B4F0925730, 16 bytes long.
 Data: <hb&#146;&#240;&#180;           > 68 62 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B4F0920460, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001B4F0925AA0, 16 bytes long.
 Data: <@b&#146;&#240;&#180;           > 40 62 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B4F0926240, 992 bytes long.
 Data: <&#160;Z&#146;&#240;&#180;   ` &#146;&#240;&#180;   > A0 5A 92 F0 B4 01 00 00 60 04 92 F0 B4 01 00 00 
{94} normal block at 0x000001B4F09205E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001B4F091A960, 16 bytes long.
 Data: <`J&#146;&#240;&#180;           > 60 4A 92 F0 B4 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001B4F0924A60, 40 bytes long.
 Data: <`&#169;&#145;&#240;&#180;   &#224; &#146;&#240;&#180;   > 60 A9 91 F0 B4 01 00 00 E0 05 92 F0 B4 01 00 00 
{71} normal block at 0x000001B4F091AB90, 16 bytes long.
 Data: < &#234;>&#245;&#247;           > 80 EA 3E F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B4F091AAA0, 16 bytes long.
 Data: <@&#233;>&#245;&#247;           > 40 E9 3E F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B4F091AD20, 16 bytes long.
 Data: <&#248;W;&#245;&#247;           > F8 57 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B4F091A190, 16 bytes long.
 Data: <&#216;W;&#245;&#247;           > D8 57 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B4F091AB40, 16 bytes long.
 Data: <P ;&#245;&#247;           > 50 04 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B4F091AF00, 16 bytes long.
 Data: <0 ;&#245;&#247;           > 30 04 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B4F091A320, 16 bytes long.
 Data: <&#224; ;&#245;&#247;           > E0 02 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B4F091AA50, 16 bytes long.
 Data: <  ;&#245;&#247;           > 10 04 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B4F091AA00, 16 bytes long.
 Data: <p ;&#245;&#247;           > 70 04 3B F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B4F091A230, 16 bytes long.
 Data: < &#192;9&#245;&#247;           > 18 C0 39 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra