Task 38683906

Name test_764-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4469_0
Workunit 31625443
Created 27 Oct 2026, 13:52:48 UTC
Sent 27 Oct 2026, 13:52:52 UTC
Report deadline 1 Nov 2026, 13:52:52 UTC
Received 27 Oct 2026, 18:45:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 477993
Run time 1 hours 27 min 15 sec
CPU time 1 hours 15 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,883.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 655.88 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:21:12 (14692): wrapper (7.9.26016): starting
18:21:12 (14692): 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
18:21:16 (14692): Library/usr/bin/tar.exe exited; CPU time 0.031250
18:21:16 (14692): 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\0\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\0\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
19:45:19 (14692): C:/Windows/system32/cmd.exe exited; CPU time 4531.968750
19:45:19 (14692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 87368467 bytes.
Dumping objects ->
{3835224} normal block at 0x000001B5333CA540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001B5333A48B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000001B5333A4760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835191} normal block at 0x000001B5333A4680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x000001B5333A4D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835149} normal block at 0x000001B535019E30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835138} normal block at 0x000001B5333FD020, 141 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) : {3835135} normal block at 0x000001B5333A1020, 8 bytes long.
 Data: <  v3&#181;   > 00 00 76 33 B5 01 00 00 
{3834537} normal block at 0x000001B5333FDB80, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001B5333A10C0, 8 bytes long.
 Data: < &#234;G3&#181;   > 00 EA 47 33 B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001B533396380, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001B533396E90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001B5333A6510, 16 bytes long.
 Data: < W:3&#181;           > 98 57 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B5333A66F0, 16 bytes long.
 Data: <pW:3&#181;           > 70 57 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B53339F810, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001B5333A6650, 16 bytes long.
 Data: <HW:3&#181;           > 48 57 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B5333A58E0, 16 bytes long.
 Data: < W:3&#181;           > 20 57 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B5333A5980, 16 bytes long.
 Data: <&#248;V:3&#181;           > F8 56 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B5333A6010, 16 bytes long.
 Data: <&#208;V:3&#181;           > D0 56 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B5333A4990, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001B5333A6150, 16 bytes long.
 Data: <XS:3&#181;           > 58 53 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B53339F870, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001B5333A5930, 16 bytes long.
 Data: <0S:3&#181;           > 30 53 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B5333A5FC0, 16 bytes long.
 Data: < S:3&#181;           > 08 53 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B5333A5F20, 16 bytes long.
 Data: <&#224;R:3&#181;           > E0 52 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B5333A6600, 16 bytes long.
 Data: <&#184;R:3&#181;           > B8 52 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B5333A5B10, 16 bytes long.
 Data: < R:3&#181;           > 90 52 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B5333A5E80, 16 bytes long.
 Data: <hR:3&#181;           > 68 52 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B53339FB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001B5333A5DE0, 16 bytes long.
 Data: <@R:3&#181;           > 40 52 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B5333A5240, 320 bytes long.
 Data: <&#224;]:3&#181;    &#251;93&#181;   > E0 5D 3A 33 B5 01 00 00 10 FB 39 33 B5 01 00 00 
{273} normal block at 0x000001B5333A5AC0, 16 bytes long.
 Data: <&#176;V:3&#181;           > B0 56 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B5333A64C0, 16 bytes long.
 Data: < V:3&#181;           > 88 56 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B53339FD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001B5333A59D0, 16 bytes long.
 Data: <`V:3&#181;           > 60 56 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B5333A0530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001B5333A5F70, 16 bytes long.
 Data: <&#168;U:3&#181;           > A8 55 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B5333A5D90, 16 bytes long.
 Data: < U:3&#181;           > 80 55 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B5333A5E30, 16 bytes long.
 Data: <XU:3&#181;           > 58 55 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B5333A6560, 16 bytes long.
 Data: <0U:3&#181;           > 30 55 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B5333A5CA0, 16 bytes long.
 Data: < U:3&#181;           > 08 55 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B5333A1340, 16 bytes long.
 Data: <&#224;T:3&#181;           > E0 54 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B5333A1250, 16 bytes long.
 Data: <&#240;F:3&#181;           > F0 46 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B5333A46F0, 40 bytes long.
 Data: <P :3&#181;   0&#158; 5&#181;   > 50 12 3A 33 B5 01 00 00 30 9E 01 35 B5 01 00 00 
{259} normal block at 0x000001B5333A12F0, 16 bytes long.
 Data: <&#192;T:3&#181;           > C0 54 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B5333A1200, 16 bytes long.
 Data: < T:3&#181;           > 98 54 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B53339FDB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001B5333A0B20, 16 bytes long.
 Data: <pT:3&#181;           > 70 54 3A 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B5333A5470, 992 bytes long.
 Data: <  :3&#181;   &#176;&#253;93&#181;   > 20 0B 3A 33 B5 01 00 00 B0 FD 39 33 B5 01 00 00 
{91} normal block at 0x000001B53339F750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001B5333A0BC0, 16 bytes long.
 Data: <&#192;&#200;83&#181;           > C0 C8 38 33 B5 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001B53338C8C0, 40 bytes long.
 Data: <&#192; :3&#181;   P&#247;93&#181;   > C0 0B 3A 33 B5 01 00 00 50 F7 39 33 B5 01 00 00 
{68} normal block at 0x000001B5333A0E40, 16 bytes long.
 Data: < &#234;q&#216;&#246;           > 80 EA 71 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B5333A07B0, 16 bytes long.
 Data: <@&#233;q&#216;&#246;           > 40 E9 71 D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B5333A0AD0, 16 bytes long.
 Data: <&#248;Wn&#216;&#246;           > F8 57 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B5333A0DA0, 16 bytes long.
 Data: <&#216;Wn&#216;&#246;           > D8 57 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B5333A0760, 16 bytes long.
 Data: <P n&#216;&#246;           > 50 04 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B5333A0D50, 16 bytes long.
 Data: <0 n&#216;&#246;           > 30 04 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B5333A0CB0, 16 bytes long.
 Data: <&#224; n&#216;&#246;           > E0 02 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B5333A0A30, 16 bytes long.
 Data: <  n&#216;&#246;           > 10 04 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B5333A0B70, 16 bytes long.
 Data: <p n&#216;&#246;           > 70 04 6E D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B5333A09E0, 16 bytes long.
 Data: < &#192;l&#216;&#246;           > 18 C0 6C D8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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