Task 38685358

Name test_69-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND8622_0
Workunit 31626828
Created 27 Oct 2026, 20:40:28 UTC
Sent 27 Oct 2026, 20:40:33 UTC
Report deadline 1 Nov 2026, 20:40:33 UTC
Received 27 Oct 2026, 21:35:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 36 sec
CPU time 50 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 880.55 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:42:15 (17940): wrapper (7.9.26016): starting
21:42:15 (17940): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
21:42:18 (17940): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:42:18 (17940): 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 'D:\ProgramData\BOINC\slots\8\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 'D:\ProgramData\BOINC\slots\8\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.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
22:34:40 (17940): C:/Windows/system32/cmd.exe exited; CPU time 3024.171875
22:34:40 (17940): called boinc_finish(0)
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: 45974175 bytes.
Dumping objects ->
{3835551} normal block at 0x0000018BAAAC9720, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000018BA8F15E80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000018BA8F15C50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x0000018BA8F15B70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000018BA8F16120, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x0000018BAAAD6610, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x0000018BAAAEF690, 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) : {3835462} normal block at 0x0000018BA8F105D0, 8 bytes long.
 Data: <  (&#169;&#139;   > 00 00 28 A9 8B 01 00 00 
{3834687} normal block at 0x0000018BAAAEFF80, 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 0x0000018BA8F10300, 8 bytes long.
 Data: < T&#241;&#168;&#139;   > 80 54 F1 A8 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018BA8F12370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018BA8F07990, 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 0x0000018BA8F17150, 16 bytes long.
 Data: < u&#241;&#168;&#139;           > 88 75 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018BA8F169D0, 16 bytes long.
 Data: <`u&#241;&#168;&#139;           > 60 75 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018BA8F10AA0, 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 0x0000018BA8F16E80, 16 bytes long.
 Data: <8u&#241;&#168;&#139;           > 38 75 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BA8F16340, 16 bytes long.
 Data: < u&#241;&#168;&#139;           > 10 75 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018BA8F16CA0, 16 bytes long.
 Data: <&#232;t&#241;&#168;&#139;           > E8 74 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018BA8F16C50, 16 bytes long.
 Data: <&#192;t&#241;&#168;&#139;           > C0 74 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018BA8F15DA0, 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 0x0000018BA8F16BB0, 16 bytes long.
 Data: < &#181;&#239;&#168;&#139;           > 88 B5 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018BA8F10860, 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 0x0000018BA8F16660, 16 bytes long.
 Data: <`&#181;&#239;&#168;&#139;           > 60 B5 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BA8F16B60, 16 bytes long.
 Data: <8&#181;&#239;&#168;&#139;           > 38 B5 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018BA8F16930, 16 bytes long.
 Data: < &#181;&#239;&#168;&#139;           > 10 B5 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BA8F16AC0, 16 bytes long.
 Data: <&#232;&#180;&#239;&#168;&#139;           > E8 B4 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018BA8F17100, 16 bytes long.
 Data: <&#192;&#180;&#239;&#168;&#139;           > C0 B4 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018BA8F163E0, 16 bytes long.
 Data: < &#180;&#239;&#168;&#139;           > 98 B4 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018BA8F10EC0, 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 0x0000018BA8F16E30, 16 bytes long.
 Data: <p&#180;&#239;&#168;&#139;           > 70 B4 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018BA8EFB470, 320 bytes long.
 Data: <0n&#241;&#168;&#139;   &#192; &#241;&#168;&#139;   > 30 6E F1 A8 8B 01 00 00 C0 0E F1 A8 8B 01 00 00 
{278} normal block at 0x0000018BA8F16D40, 16 bytes long.
 Data: <&#160;t&#241;&#168;&#139;           > A0 74 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018BA8F168E0, 16 bytes long.
 Data: <xt&#241;&#168;&#139;           > 78 74 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018BA8F109E0, 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 0x0000018BA8F16520, 16 bytes long.
 Data: <Pt&#241;&#168;&#139;           > 50 74 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018BA8F10B00, 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 0x0000018BA8F16C00, 16 bytes long.
 Data: < s&#241;&#168;&#139;           > 98 73 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018BA8F16750, 16 bytes long.
 Data: <ps&#241;&#168;&#139;           > 70 73 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BA8F16F70, 16 bytes long.
 Data: <Hs&#241;&#168;&#139;           > 48 73 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018BA8F16DE0, 16 bytes long.
 Data: < s&#241;&#168;&#139;           > 20 73 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018BA8F16610, 16 bytes long.
 Data: <&#248;r&#241;&#168;&#139;           > F8 72 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018BA8F16D90, 16 bytes long.
 Data: <&#208;r&#241;&#168;&#139;           > D0 72 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018BA8F162F0, 16 bytes long.
 Data: <0]&#241;&#168;&#139;           > 30 5D F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018BA8F15D30, 40 bytes long.
 Data: <&#240;b&#241;&#168;&#139;    f&#173;&#170;&#139;   > F0 62 F1 A8 8B 01 00 00 10 66 AD AA 8B 01 00 00 
{264} normal block at 0x0000018BA8F16890, 16 bytes long.
 Data: <&#176;r&#241;&#168;&#139;           > B0 72 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018BA8F164D0, 16 bytes long.
 Data: < r&#241;&#168;&#139;           > 88 72 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018BA8F11340, 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 0x0000018BA8F16B10, 16 bytes long.
 Data: <`r&#241;&#168;&#139;           > 60 72 F1 A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018BA8F17260, 992 bytes long.
 Data: < k&#241;&#168;&#139;   @ &#241;&#168;&#139;   > 10 6B F1 A8 8B 01 00 00 40 13 F1 A8 8B 01 00 00 
{96} normal block at 0x0000018BA8F114C0, 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 0x0000018BA8F0F900, 16 bytes long.
 Data: <P&#229;&#239;&#168;&#139;           > 50 E5 EF A8 8B 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000018BA8EFE550, 40 bytes long.
 Data: < &#249;&#240;&#168;&#139;   &#192; &#241;&#168;&#139;   > 00 F9 F0 A8 8B 01 00 00 C0 14 F1 A8 8B 01 00 00 
{73} normal block at 0x0000018BA8F0FF90, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018BA8F10620, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018BA8F0FD10, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018BA8F0FE00, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018BA8F0FDB0, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018BA8F0F720, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018BA8F0FA40, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018BA8F102B0, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018BA8F10490, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018BA8F10350, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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