Task 38686813

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND9048_0
Workunit 31628225
Created 28 Oct 2026, 4:31:45 UTC
Sent 28 Oct 2026, 4:31:53 UTC
Report deadline 2 Nov 2026, 4:31:53 UTC
Received 28 Oct 2026, 8:22:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 28 min 27 sec
CPU time 1 hours 15 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.92 MB
Peak swap size 5.23 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:56:01 (5840): wrapper (7.9.26016): starting
23:56:01 (5840): 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
23:56:05 (5840): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:56:05 (5840): 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\3\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\3\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
01:20:59 (5840): C:/Windows/system32/cmd.exe exited; CPU time 4533.171875
01:20:59 (5840): called boinc_finish(0)
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: 74706105 bytes.
Dumping objects ->
{3835221} normal block at 0x000002046A9B14A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002046A9B0EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x000002046A9B1190, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x000002046A9B0D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x000002046A9B16D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x000002046AACBC80, 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) : {3835133} normal block at 0x0000020468FC65C0, 8 bytes long.
 Data: <  &#247;h    > 00 00 F7 68 04 02 00 00 
{3833949} normal block at 0x0000020468FC5A30, 8 bytes long.
 Data: < *&#170;j    > 20 2A AA 6A 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020468FD0130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020468FBB320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000020468FD1A80, 16 bytes long.
 Data: <x7&#253;h            > 78 37 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020468FD19E0, 16 bytes long.
 Data: <P7&#253;h            > 50 37 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020468FCB0B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000020468FD1990, 16 bytes long.
 Data: <(7&#253;h            > 28 37 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020468FD1080, 16 bytes long.
 Data: < 7&#253;h            > 00 37 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020468FD1260, 16 bytes long.
 Data: <&#216;6&#253;h            > D8 36 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020468FD1C10, 16 bytes long.
 Data: <&#176;6&#253;h            > B0 36 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020468FCCC80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000020468FD1490, 16 bytes long.
 Data: < &#191;&#251;h            > 88 BF FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020468FCB410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000020468FD1350, 16 bytes long.
 Data: <`&#191;&#251;h            > 60 BF FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020468FD1300, 16 bytes long.
 Data: <8&#191;&#251;h            > 38 BF FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020468FD1A30, 16 bytes long.
 Data: < &#191;&#251;h            > 10 BF FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020468FD1800, 16 bytes long.
 Data: <&#232;&#190;&#251;h            > E8 BE FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020468FD1B20, 16 bytes long.
 Data: <&#192;&#190;&#251;h            > C0 BE FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020468FD12B0, 16 bytes long.
 Data: < &#190;&#251;h            > 98 BE FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020468FCB650, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020468FD13F0, 16 bytes long.
 Data: <p&#190;&#251;h            > 70 BE FB 68 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020468FBBE70, 320 bytes long.
 Data: <&#240; &#253;h    P&#182;&#252;h    > F0 13 FD 68 04 02 00 00 50 B6 FC 68 04 02 00 00 
{270} normal block at 0x0000020468FD1FD0, 16 bytes long.
 Data: < 6&#253;h            > 90 36 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020468FD1940, 16 bytes long.
 Data: <h6&#253;h            > 68 36 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020468FCB5F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000020468FD1AD0, 16 bytes long.
 Data: <@6&#253;h            > 40 36 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020468FCB530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000020468FD1850, 16 bytes long.
 Data: < 5&#253;h            > 88 35 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020468FD1210, 16 bytes long.
 Data: <`5&#253;h            > 60 35 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020468FD1580, 16 bytes long.
 Data: <85&#253;h            > 38 35 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020468FD18F0, 16 bytes long.
 Data: < 5&#253;h            > 10 35 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020468FD14E0, 16 bytes long.
 Data: <&#232;4&#253;h            > E8 34 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020468FD1F80, 16 bytes long.
 Data: <&#192;4&#253;h            > C0 34 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020468FD1F30, 16 bytes long.
 Data: < &#204;&#252;h            > 10 CC FC 68 04 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020468FCCC10, 40 bytes long.
 Data: <0 &#253;h     &#188;&#172;j    > 30 1F FD 68 04 02 00 00 80 BC AC 6A 04 02 00 00 
{256} normal block at 0x0000020468FD1440, 16 bytes long.
 Data: <&#160;4&#253;h            > A0 34 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020468FD1E40, 16 bytes long.
 Data: <x4&#253;h            > 78 34 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020468FCB4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000020468FD1170, 16 bytes long.
 Data: <P4&#253;h            > 50 34 FD 68 04 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020468FD3450, 992 bytes long.
 Data: <p &#253;h    &#208;&#180;&#252;h    > 70 11 FD 68 04 02 00 00 D0 B4 FC 68 04 02 00 00 
{88} normal block at 0x0000020468FCA8D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000020468FC5F30, 16 bytes long.
 Data: <&#224;&#201;&#252;h            > E0 C9 FC 68 04 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020468FCC9E0, 40 bytes long.
 Data: <0_&#252;h    &#208;&#168;&#252;h    > 30 5F FC 68 04 02 00 00 D0 A8 FC 68 04 02 00 00 
{65} normal block at 0x0000020468FC5D00, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020468FC6980, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020468FC6570, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020468FC6430, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020468FC62F0, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020468FC5DA0, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020468FC5A80, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020468FC61B0, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020468FC6390, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020468FC5D50, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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