Task 38683973

Name test_293-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4941_0
Workunit 31625506
Created 27 Oct 2026, 14:09:22 UTC
Sent 27 Oct 2026, 14:09:28 UTC
Report deadline 1 Nov 2026, 14:09:28 UTC
Received 27 Oct 2026, 15:59:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641051
Run time 31 min 26 sec
CPU time 29 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 53,456.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 742.79 MB
Peak swap size 13.03 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:29:51 (37880): wrapper (7.9.26016): starting
11:29:51 (37880): 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
11:29:53 (37880): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:29:53 (37880): 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\31\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\31\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
11:59:17 (37880): C:/Windows/system32/cmd.exe exited; CPU time 1744.156250
11:59:17 (37880): 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: 37929925 bytes.
Dumping objects ->
{3835197} normal block at 0x00000181B7983980, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x00000181B7983910, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000181B7983F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835164} normal block at 0x00000181B79839F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000181B7983B40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835122} normal block at 0x00000181B9CC6F60, 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) : {3835109} normal block at 0x00000181B797E770, 8 bytes long.
 Data: <  &#139;&#183;    > 00 00 8B B7 81 01 00 00 
{3833959} normal block at 0x00000181B797E090, 8 bytes long.
 Data: <0 &#210;&#185;    > 30 13 D2 B9 81 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000181B79751A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000181B7980280, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000181B7984870, 16 bytes long.
 Data: < W &#183;            > 98 57 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000181B7984DC0, 16 bytes long.
 Data: <pW &#183;            > 70 57 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000181B797EE50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000181B7984F00, 16 bytes long.
 Data: <HW &#183;            > 48 57 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000181B7984EB0, 16 bytes long.
 Data: < W &#183;            > 20 57 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000181B79853B0, 16 bytes long.
 Data: <&#248;V &#183;            > F8 56 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000181B7984820, 16 bytes long.
 Data: <&#208;V &#183;            > D0 56 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000181B7983D00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000181B7984FA0, 16 bytes long.
 Data: <X&#224;&#150;&#183;            > 58 E0 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000181B797F570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000181B7984640, 16 bytes long.
 Data: <0&#224;&#150;&#183;            > 30 E0 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000181B7984780, 16 bytes long.
 Data: < &#224;&#150;&#183;            > 08 E0 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000181B7984500, 16 bytes long.
 Data: <&#224;&#223;&#150;&#183;            > E0 DF 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000181B79849B0, 16 bytes long.
 Data: <&#184;&#223;&#150;&#183;            > B8 DF 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000181B7985220, 16 bytes long.
 Data: < &#223;&#150;&#183;            > 90 DF 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000181B7984D70, 16 bytes long.
 Data: <h&#223;&#150;&#183;            > 68 DF 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000181B797F1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000181B7984C30, 16 bytes long.
 Data: <@&#223;&#150;&#183;            > 40 DF 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000181B796DF40, 320 bytes long.
 Data: <0L &#183;    &#176;&#241;&#151;&#183;    > 30 4C 98 B7 81 01 00 00 B0 F1 97 B7 81 01 00 00 
{275} normal block at 0x00000181B7984BE0, 16 bytes long.
 Data: <&#176;V &#183;            > B0 56 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000181B7985040, 16 bytes long.
 Data: < V &#183;            > 88 56 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000181B797F090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000181B7984730, 16 bytes long.
 Data: <`V &#183;            > 60 56 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000181B797F390, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000181B7985310, 16 bytes long.
 Data: <&#168;U &#183;            > A8 55 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000181B7985360, 16 bytes long.
 Data: < U &#183;            > 80 55 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000181B79847D0, 16 bytes long.
 Data: <XU &#183;            > 58 55 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000181B7985400, 16 bytes long.
 Data: <0U &#183;            > 30 55 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000181B7984AA0, 16 bytes long.
 Data: < U &#183;            > 08 55 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000181B79852C0, 16 bytes long.
 Data: <&#224;T &#183;            > E0 54 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000181B7984E60, 16 bytes long.
 Data: < < &#183;            > 90 3C 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000181B7983C90, 40 bytes long.
 Data: <`N &#183;    `o&#204;&#185;    > 60 4E 98 B7 81 01 00 00 60 6F CC B9 81 01 00 00 
{261} normal block at 0x00000181B7984690, 16 bytes long.
 Data: <&#192;T &#183;            > C0 54 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000181B7984A50, 16 bytes long.
 Data: < T &#183;            > 98 54 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000181B797F510, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000181B7984FF0, 16 bytes long.
 Data: <pT &#183;            > 70 54 98 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000181B7985470, 992 bytes long.
 Data: <&#240;O &#183;     &#245;&#151;&#183;    > F0 4F 98 B7 81 01 00 00 10 F5 97 B7 81 01 00 00 
{93} normal block at 0x00000181B797ECD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000181B797DAA0, 16 bytes long.
 Data: < &#194;&#150;&#183;            > 00 C2 96 B7 81 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000181B796C200, 40 bytes long.
 Data: <&#160;&#218;&#151;&#183;    &#208;&#236;&#151;&#183;    > A0 DA 97 B7 81 01 00 00 D0 EC 97 B7 81 01 00 00 
{70} normal block at 0x00000181B797DC30, 16 bytes long.
 Data: < &#234;! &#246;           > 80 EA 21 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000181B797E860, 16 bytes long.
 Data: <@&#233;! &#246;           > 40 E9 21 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000181B797DF00, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000181B797E720, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000181B797E6D0, 16 bytes long.
 Data: <P   &#246;           > 50 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000181B797E2C0, 16 bytes long.
 Data: <0   &#246;           > 30 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000181B797E1D0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000181B797DB40, 16 bytes long.
 Data: <    &#246;           > 10 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000181B797DEB0, 16 bytes long.
 Data: <p   &#246;           > 70 04 1E 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000181B797E400, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 1C 0B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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