Task 38686089

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4973_0
Workunit 31627534
Created 28 Oct 2026, 0:36:55 UTC
Sent 28 Oct 2026, 0:37:03 UTC
Report deadline 2 Nov 2026, 0:37:03 UTC
Received 28 Oct 2026, 4:42:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 59 min 42 sec
CPU time 51 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.80 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:44:51 (25168): wrapper (7.9.26016): starting
20:44:51 (25168): 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
20:44:54 (25168): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:44:54 (25168): 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
21:41:53 (25168): C:/Windows/system32/cmd.exe exited; CPU time 3115.250000
21:41:53 (25168): 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: 64550851 bytes.
Dumping objects ->
{3835458} normal block at 0x00000298E4114970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x00000298E41142E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x00000298E4114510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x00000298E2355890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x00000298E23556D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x00000298E40B8A00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000298E40CFA70, 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) : {3835369} normal block at 0x00000298E234E0A0, 8 bytes long.
 Data: <  ~&#226;    > 00 00 7E E2 98 02 00 00 
{3834654} normal block at 0x00000298E40CF700, 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 0x00000298E234E3C0, 8 bytes long.
 Data: <0&#235;&#252;&#227;    > 30 EB FC E3 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000298E2351D70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000298E2346B90, 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 0x00000298E2356590, 16 bytes long.
 Data: <ht5&#226;            > 68 74 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000298E2356D10, 16 bytes long.
 Data: <@t5&#226;            > 40 74 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000298E23506A0, 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 0x00000298E2356540, 16 bytes long.
 Data: < t5&#226;            > 18 74 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000298E23570D0, 16 bytes long.
 Data: <&#240;s5&#226;            > F0 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000298E23567C0, 16 bytes long.
 Data: <&#200;s5&#226;            > C8 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000298E2356F40, 16 bytes long.
 Data: <&#160;s5&#226;            > A0 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000298E2355580, 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 0x00000298E2356450, 16 bytes long.
 Data: <h^5&#226;            > 68 5E 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000298E23501C0, 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 0x00000298E2356630, 16 bytes long.
 Data: <@^5&#226;            > 40 5E 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000298E2356C20, 16 bytes long.
 Data: < ^5&#226;            > 18 5E 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000298E2357080, 16 bytes long.
 Data: <&#240;]5&#226;            > F0 5D 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000298E23564F0, 16 bytes long.
 Data: <&#200;]5&#226;            > C8 5D 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000298E2356720, 16 bytes long.
 Data: <&#160;]5&#226;            > A0 5D 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000298E2356400, 16 bytes long.
 Data: <x]5&#226;            > 78 5D 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000298E234FF20, 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 0x00000298E2357030, 16 bytes long.
 Data: <P]5&#226;            > 50 5D 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000298E2355D50, 320 bytes long.
 Data: <0p5&#226;     &#255;4&#226;    > 30 70 35 E2 98 02 00 00 20 FF 34 E2 98 02 00 00 
{278} normal block at 0x00000298E2356A90, 16 bytes long.
 Data: < s5&#226;            > 80 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000298E2356310, 16 bytes long.
 Data: <Xs5&#226;            > 58 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000298E234FDA0, 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 0x00000298E23563B0, 16 bytes long.
 Data: <0s5&#226;            > 30 73 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000298E23509A0, 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 0x00000298E23569A0, 16 bytes long.
 Data: <xr5&#226;            > 78 72 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000298E2356FE0, 16 bytes long.
 Data: <Pr5&#226;            > 50 72 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000298E2356180, 16 bytes long.
 Data: <(r5&#226;            > 28 72 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000298E2356770, 16 bytes long.
 Data: < r5&#226;            > 00 72 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000298E23566D0, 16 bytes long.
 Data: <&#216;q5&#226;            > D8 71 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000298E2356360, 16 bytes long.
 Data: <&#176;q5&#226;            > B0 71 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000298E2356C70, 16 bytes long.
 Data: <pR5&#226;            > 70 52 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000298E2355270, 40 bytes long.
 Data: <pl5&#226;     &#138; &#228;    > 70 6C 35 E2 98 02 00 00 00 8A 0B E4 98 02 00 00 
{264} normal block at 0x00000298E23562C0, 16 bytes long.
 Data: < q5&#226;            > 90 71 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000298E23569F0, 16 bytes long.
 Data: <hq5&#226;            > 68 71 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000298E2350760, 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 0x00000298E2356220, 16 bytes long.
 Data: <@q5&#226;            > 40 71 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000298E2357140, 992 bytes long.
 Data: < b5&#226;    ` 5&#226;    > 20 62 35 E2 98 02 00 00 60 07 35 E2 98 02 00 00 
{96} normal block at 0x00000298E234FE60, 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 0x00000298E234E690, 16 bytes long.
 Data: <PS5&#226;            > 50 53 35 E2 98 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000298E2355350, 40 bytes long.
 Data: < &#230;4&#226;    `&#254;4&#226;    > 90 E6 34 E2 98 02 00 00 60 FE 34 E2 98 02 00 00 
{73} normal block at 0x00000298E234DBF0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000298E234E960, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000298E234DC90, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000298E234DD80, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000298E234E5F0, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000298E234E2D0, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000298E234E050, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000298E234DF10, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000298E234DB00, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000298E234E500, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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