Task 38608729

Name MCL1_A26_A08_r0_4-QUICO_ATM_OpenFF_MCL1-1-6-RND5801_1
Workunit 31561010
Created 14 Apr 2026, 18:02:10 UTC
Sent 14 Apr 2026, 18:02:11 UTC
Report deadline 19 Apr 2026, 18:02:11 UTC
Received 15 Apr 2026, 5:29:03 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651099
Run time 1 min 59 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,773.77 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 49.68 MB
Peak swap size 35.70 MB
Peak disk usage 3.67 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
23:39:34 (20440): wrapper (7.9.26016): starting
23:39:34 (20440): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A26_A08_0.pdb
QB_A26_A08_0.xml
QB_A26_A08.inpcrd
QB_A26_A08_input.yaml
QB_A26_A08.pdb
QB_A26_A08.prmtop
QB_A26_A08_sys.xml
run.bat
run.sh
23:39:35 (20440): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:39:35 (20440): 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 0x000001A5B60B8110>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001A5B60CC790>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001A5B60CD110>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001A5B60CD690>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001A5B60CE110>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001E0E0CB1F50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001E0E0CB2890>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001E0E0CB3210>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001E0E0CB3D90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000001E0E0CC89D0>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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\\2\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
23:39:59 (20440): C:/Windows/system32/cmd.exe exited; CPU time 1.265625
23:39:59 (20440): app exit status: 0x16
23:39:59 (20440): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 527287 bytes.
Dumping objects ->
{3835470} normal block at 0x000001F1FD29F0F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000001F1FD29EBB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x000001F1FD29F470, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835437} normal block at 0x000001F1FD29F080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001F1FB666730, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835395} normal block at 0x000001F1FD2E9550, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x000001F1FD3005A0, 102 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) : {3835381} normal block at 0x000001F1FB65EF90, 8 bytes long.
 Data: <  &#176;&#251;&#241;   > 00 00 B0 FB F1 01 00 00 
{3834660} normal block at 0x000001F1FD2FFE10, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001F1FB65ECC0, 8 bytes long.
 Data: <`&#220;d&#251;&#241;   > 60 DC 64 FB F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F1FB651BA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F1FB651E80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001F1FB667430, 16 bytes long.
 Data: <&#168;~f&#251;&#241;           > A8 7E 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F1FB6673E0, 16 bytes long.
 Data: < ~f&#251;&#241;           > 80 7E 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F1FB660E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001F1FB666F30, 16 bytes long.
 Data: <X~f&#251;&#241;           > 58 7E 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F1FB667A20, 16 bytes long.
 Data: <0~f&#251;&#241;           > 30 7E 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1FB667390, 16 bytes long.
 Data: < ~f&#251;&#241;           > 08 7E 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F1FB6670C0, 16 bytes long.
 Data: <&#224;}f&#251;&#241;           > E0 7D 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F1FB666490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001F1FB6672F0, 16 bytes long.
 Data: <&#200;&#247;d&#251;&#241;           > C8 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F1FB6609F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001F1FB6672A0, 16 bytes long.
 Data: <&#160;&#247;d&#251;&#241;           > A0 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F1FB666EE0, 16 bytes long.
 Data: <x&#247;d&#251;&#241;           > 78 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F1FB667250, 16 bytes long.
 Data: <P&#247;d&#251;&#241;           > 50 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F1FB6674D0, 16 bytes long.
 Data: <(&#247;d&#251;&#241;           > 28 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1FB667200, 16 bytes long.
 Data: < &#247;d&#251;&#241;           > 00 F7 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F1FB6671B0, 16 bytes long.
 Data: <&#216;&#246;d&#251;&#241;           > D8 F6 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1FB6608D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001F1FB666CB0, 16 bytes long.
 Data: <&#176;&#246;d&#251;&#241;           > B0 F6 64 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F1FB64F6B0, 320 bytes long.
 Data: <&#176;lf&#251;&#241;   &#208; f&#251;&#241;   > B0 6C 66 FB F1 01 00 00 D0 08 66 FB F1 01 00 00 
{278} normal block at 0x000001F1FB667340, 16 bytes long.
 Data: <&#192;}f&#251;&#241;           > C0 7D 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F1FB667660, 16 bytes long.
 Data: < }f&#251;&#241;           > 98 7D 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1FB660F30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001F1FB666E90, 16 bytes long.
 Data: <p}f&#251;&#241;           > 70 7D 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F1FB6617D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001F1FB6677F0, 16 bytes long.
 Data: <&#184;|f&#251;&#241;           > B8 7C 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F1FB6679D0, 16 bytes long.
 Data: < |f&#251;&#241;           > 90 7C 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1FB6678E0, 16 bytes long.
 Data: <h|f&#251;&#241;           > 68 7C 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F1FB667480, 16 bytes long.
 Data: <@|f&#251;&#241;           > 40 7C 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F1FB667610, 16 bytes long.
 Data: < |f&#251;&#241;           > 18 7C 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1FB667110, 16 bytes long.
 Data: <&#240;{f&#251;&#241;           > F0 7B 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1FB667AC0, 16 bytes long.
 Data: <Pff&#251;&#241;           > 50 66 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F1FB666650, 40 bytes long.
 Data: <&#192;zf&#251;&#241;   P&#149;.&#253;&#241;   > C0 7A 66 FB F1 01 00 00 50 95 2E FD F1 01 00 00 
{264} normal block at 0x000001F1FB667160, 16 bytes long.
 Data: <&#208;{f&#251;&#241;           > D0 7B 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F1FB6675C0, 16 bytes long.
 Data: <&#168;{f&#251;&#241;           > A8 7B 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1FB661110, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001F1FB667520, 16 bytes long.
 Data: < {f&#251;&#241;           > 80 7B 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F1FB667B80, 992 bytes long.
 Data: < uf&#251;&#241;     f&#251;&#241;   > 20 75 66 FB F1 01 00 00 10 11 66 FB F1 01 00 00 
{96} normal block at 0x000001F1FB660F90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001F1FB65ED10, 16 bytes long.
 Data: <`bf&#251;&#241;           > 60 62 66 FB F1 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001F1FB666260, 40 bytes long.
 Data: < &#237;e&#251;&#241;     f&#251;&#241;   > 10 ED 65 FB F1 01 00 00 90 0F 66 FB F1 01 00 00 
{73} normal block at 0x000001F1FB65F0D0, 16 bytes long.
 Data: < &#234;&#254;X&#246;           > 80 EA FE 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F1FB65EC20, 16 bytes long.
 Data: <@&#233;&#254;X&#246;           > 40 E9 FE 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F1FB65E9A0, 16 bytes long.
 Data: <&#248;W&#251;X&#246;           > F8 57 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F1FB65F530, 16 bytes long.
 Data: <&#216;W&#251;X&#246;           > D8 57 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F1FB65F210, 16 bytes long.
 Data: <P &#251;X&#246;           > 50 04 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F1FB65F3A0, 16 bytes long.
 Data: <0 &#251;X&#246;           > 30 04 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F1FB65F350, 16 bytes long.
 Data: <&#224; &#251;X&#246;           > E0 02 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1FB65EEA0, 16 bytes long.
 Data: <  &#251;X&#246;           > 10 04 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1FB65EF40, 16 bytes long.
 Data: <p &#251;X&#246;           > 70 04 FB 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1FB65EB30, 16 bytes long.
 Data: < &#192;&#249;X&#246;           > 18 C0 F9 58 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra