Task 38642712

Name cdk8_A05_A26_r0_5-QUICO_ATM_OpenFF23_NAGL_cdk8-4-6-RND2419_0
Workunit 31589380
Created 6 May 2026, 19:19:52 UTC
Sent 6 May 2026, 19:19:58 UTC
Report deadline 11 May 2026, 19:19:58 UTC
Received 7 May 2026, 4:41:17 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 643627
Run time 4 hours 5 min 40 sec
CPU time 4 hours 0 min 32 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 83,076.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 1,002.21 MB
Peak swap size 13.56 GB
Peak disk usage 3.27 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run zS�.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
14:21:11 (78260): wrapper (7.9.26016): starting
14:21:11 (78260): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A26_0.pdb
QB_A05_A26_0.xml
QB_A05_A26.inpcrd
QB_A05_A26_input.yaml
QB_A05_A26.pdb
QB_A05_A26.prmtop
QB_A05_A26_sys.xml
run.bat
run.sh
14:21:13 (78260): Library/usr/bin/tar.exe exited; CPU time 0.031250
14:21:13 (78260): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\24\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\24\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
18:26:00 (78260): C:/Windows/system32/cmd.exe exited; CPU time 14432.890625
18:26:00 (78260): app exit status: 0x16
18:26:00 (78260): 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: 286289137 bytes.
Dumping objects ->
{3835495} normal block at 0x00000214FC196480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x00000214FC196250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x00000214FC1961E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835462} normal block at 0x00000214FC1962C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x00000214FC196170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835420} normal block at 0x00000214FDE5D2D0, 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) : {3835407} normal block at 0x00000214FC18E6A0, 8 bytes long.
 Data: <   &#252;    > 00 00 16 FC 14 02 00 00 
{3833967} normal block at 0x00000214FC18E8D0, 8 bytes long.
 Data: <&#176;Z &#252;    > B0 5A 19 FC 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000214FC181AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000214FC17EDB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000214FC196A30, 16 bytes long.
 Data: < { &#252;            > 88 7B 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000214FC196FD0, 16 bytes long.
 Data: <`{ &#252;            > 60 7B 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000214FC191000, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000214FC1968F0, 16 bytes long.
 Data: <8{ &#252;            > 38 7B 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000214FC196B20, 16 bytes long.
 Data: < { &#252;            > 10 7B 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214FC1970C0, 16 bytes long.
 Data: <&#232;z &#252;            > E8 7A 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000214FC196F80, 16 bytes long.
 Data: <&#192;z &#252;            > C0 7A 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214FC196410, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000214FC1977F0, 16 bytes long.
 Data: <8  &#252;            > 38 06 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000214FC1913C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000214FC1977A0, 16 bytes long.
 Data: <   &#252;            > 10 06 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214FC197430, 16 bytes long.
 Data: <&#232;  &#252;            > E8 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214FC1973E0, 16 bytes long.
 Data: <&#192;  &#252;            > C0 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000214FC1968A0, 16 bytes long.
 Data: <   &#252;            > 98 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214FC197750, 16 bytes long.
 Data: <p  &#252;            > 70 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000214FC197700, 16 bytes long.
 Data: <H  &#252;            > 48 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000214FC190CA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000214FC196EE0, 16 bytes long.
 Data: <   &#252;            > 20 05 18 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214FC180520, 320 bytes long.
 Data: <&#224;n &#252;    &#160;  &#252;    > E0 6E 19 FC 14 02 00 00 A0 0C 19 FC 14 02 00 00 
{279} normal block at 0x00000214FC1971B0, 16 bytes long.
 Data: <&#160;z &#252;            > A0 7A 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214FC196C10, 16 bytes long.
 Data: <xz &#252;            > 78 7A 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214FC190C40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000214FC1969E0, 16 bytes long.
 Data: <Pz &#252;            > 50 7A 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000214FC190BE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000214FC1976B0, 16 bytes long.
 Data: < y &#252;            > 98 79 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000214FC196E90, 16 bytes long.
 Data: <py &#252;            > 70 79 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214FC196B70, 16 bytes long.
 Data: <Hy &#252;            > 48 79 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214FC197390, 16 bytes long.
 Data: < y &#252;            > 20 79 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000214FC1972A0, 16 bytes long.
 Data: <&#248;x &#252;            > F8 78 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214FC197660, 16 bytes long.
 Data: <&#208;x &#252;            > D0 78 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214FC196990, 16 bytes long.
 Data: <0c &#252;            > 30 63 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214FC196330, 40 bytes long.
 Data: < i &#252;    &#208;&#210;&#229;&#253;    > 90 69 19 FC 14 02 00 00 D0 D2 E5 FD 14 02 00 00 
{265} normal block at 0x00000214FC197610, 16 bytes long.
 Data: <&#176;x &#252;            > B0 78 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214FC196E40, 16 bytes long.
 Data: < x &#252;            > 88 78 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214FC1911E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000214FC196F30, 16 bytes long.
 Data: <`x &#252;            > 60 78 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214FC197860, 992 bytes long.
 Data: <0o &#252;    &#224;  &#252;    > 30 6F 19 FC 14 02 00 00 E0 11 19 FC 14 02 00 00 
{97} normal block at 0x00000214FC190820, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000214FC18EA10, 16 bytes long.
 Data: <&#176;" &#252;            > B0 22 19 FC 14 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000214FC1922B0, 40 bytes long.
 Data: < &#234; &#252;       &#252;    > 10 EA 18 FC 14 02 00 00 20 08 19 FC 14 02 00 00 
{74} normal block at 0x00000214FC18E470, 16 bytes long.
 Data: < &#234;&#156; &#247;           > 80 EA 9C 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000214FC18E2E0, 16 bytes long.
 Data: <@&#233;&#156; &#247;           > 40 E9 9C 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000214FC18E510, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000214FC18F0F0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000214FC18EAB0, 16 bytes long.
 Data: <P   &#247;           > 50 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000214FC18EDD0, 16 bytes long.
 Data: <0   &#247;           > 30 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000214FC18E420, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214FC18E7E0, 16 bytes long.
 Data: <    &#247;           > 10 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214FC18E6F0, 16 bytes long.
 Data: <p   &#247;           > 70 04 99 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214FC18EEC0, 16 bytes long.
 Data: < &#192;&#151; &#247;           > 18 C0 97 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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