Task 38673497

Name test_282-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5585_0
Workunit 31615569
Created 26 Oct 2026, 2:34:49 UTC
Sent 26 Oct 2026, 2:34:52 UTC
Report deadline 31 Oct 2026, 2:34:52 UTC
Received 26 Oct 2026, 3:11:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 541192
Run time 32 min 13 sec
CPU time 29 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.84 MB
Peak swap size 13.04 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:41:08 (3184): wrapper (7.9.26016): starting
03:41:08 (3184): 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
03:41:10 (3184): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:41:10 (3184): 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 'J:\BOINC\data\slots\11\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 'J:\BOINC\data\slots\11\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
04:11:22 (3184): C:/Windows/system32/cmd.exe exited; CPU time 1787.421875
04:11:22 (3184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 38065068 bytes.
Dumping objects ->
{3835586} normal block at 0x00000134A9A474C0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835575} normal block at 0x00000134AB818670, 32 bytes long.
 Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835564} normal block at 0x00000134AB818EB0, 32 bytes long.
 Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835553} normal block at 0x00000134AB817E90, 32 bytes long.
 Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835542} normal block at 0x00000134AB818A30, 32 bytes long.
 Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C 
{3835511} normal block at 0x00000134A9A473E0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835500} normal block at 0x00000134AB7DFAB0, 85 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) : {3835497} normal block at 0x00000134A9A3BF90, 8 bytes long.
 Data: <  &#160;&#169;4   > 00 00 A0 A9 34 01 00 00 
{3834717} normal block at 0x00000134AB7DFA10, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833991} normal block at 0x00000134A9A3CC60, 8 bytes long.
 Data: <&#224;`&#130;&#171;4   > E0 60 82 AB 34 01 00 00 
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x00000134A9A42F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x00000134A9A37250, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{311} normal block at 0x00000134A9A48030, 16 bytes long.
 Data: < &#138;&#164;&#169;4           > 08 8A A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x00000134A9A47C70, 16 bytes long.
 Data: <&#224;&#137;&#164;&#169;4           > E0 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000134A9A40A70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{308} normal block at 0x00000134A9A47EA0, 16 bytes long.
 Data: <&#184;&#137;&#164;&#169;4           > B8 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000134A9A47CC0, 16 bytes long.
 Data: < &#137;&#164;&#169;4           > 90 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000134A9A47A90, 16 bytes long.
 Data: <h&#137;&#164;&#169;4           > 68 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000134A9A48490, 16 bytes long.
 Data: <@&#137;&#164;&#169;4           > 40 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000134A9A475A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{303} normal block at 0x00000134A9A481C0, 16 bytes long.
 Data: <&#248; &#163;&#169;4           > F8 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000134A9A40170, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{301} normal block at 0x00000134A9A47AE0, 16 bytes long.
 Data: <&#208; &#163;&#169;4           > D0 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000134A9A485D0, 16 bytes long.
 Data: <&#168; &#163;&#169;4           > A8 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000134A9A47E50, 16 bytes long.
 Data: <  &#163;&#169;4           > 80 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000134A9A48530, 16 bytes long.
 Data: <X &#163;&#169;4           > 58 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000134A9A48260, 16 bytes long.
 Data: <0 &#163;&#169;4           > 30 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000134A9A47D60, 16 bytes long.
 Data: <  &#163;&#169;4           > 08 0C A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000134A9A40950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{293} normal block at 0x00000134A9A48440, 16 bytes long.
 Data: <&#224; &#163;&#169;4           > E0 0B A3 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000134A9A30BE0, 320 bytes long.
 Data: <@&#132;&#164;&#169;4   P	&#164;&#169;4   > 40 84 A4 A9 34 01 00 00 50 09 A4 A9 34 01 00 00 
{291} normal block at 0x00000134A9A480D0, 16 bytes long.
 Data: < &#137;&#164;&#169;4           > 20 89 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000134A9A47E00, 16 bytes long.
 Data: <&#248; &#164;&#169;4           > F8 88 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000134A9A3FFF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{288} normal block at 0x00000134A9A48080, 16 bytes long.
 Data: <&#208; &#164;&#169;4           > D0 88 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000134A9A3FF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{286} normal block at 0x00000134A9A47F90, 16 bytes long.
 Data: <  &#164;&#169;4           > 18 88 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000134A9A47950, 16 bytes long.
 Data: <&#240;&#135;&#164;&#169;4           > F0 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000134A9A47D10, 16 bytes long.
 Data: <&#200;&#135;&#164;&#169;4           > C8 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000134A9A47BD0, 16 bytes long.
 Data: <&#160;&#135;&#164;&#169;4           > A0 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000134A9A483A0, 16 bytes long.
 Data: <x&#135;&#164;&#169;4           > 78 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000134A9A47B80, 16 bytes long.
 Data: <P&#135;&#164;&#169;4           > 50 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000134A9A47F40, 16 bytes long.
 Data: <Pt&#164;&#169;4           > 50 74 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000134A9A47450, 40 bytes long.
 Data: <@ &#164;&#169;4   &#224;s&#164;&#169;4   > 40 7F A4 A9 34 01 00 00 E0 73 A4 A9 34 01 00 00 
{277} normal block at 0x00000134A9A47EF0, 16 bytes long.
 Data: <0&#135;&#164;&#169;4           > 30 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000134A9A47FE0, 16 bytes long.
 Data: < &#135;&#164;&#169;4           > 08 87 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000134A9A40D10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{274} normal block at 0x00000134A9A47860, 16 bytes long.
 Data: <&#224;&#134;&#164;&#169;4           > E0 86 A4 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000134A9A486E0, 992 bytes long.
 Data: <`x&#164;&#169;4     &#164;&#169;4   > 60 78 A4 A9 34 01 00 00 10 0D A4 A9 34 01 00 00 
{109} normal block at 0x00000134A9A402F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{108} normal block at 0x00000134A9A3CDA0, 16 bytes long.
 Data: <&#176;&#240;&#162;&#169;4           > B0 F0 A2 A9 34 01 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x00000134A9A2F0B0, 40 bytes long.
 Data: <&#160;&#205;&#163;&#169;4   &#240; &#164;&#169;4   > A0 CD A3 A9 34 01 00 00 F0 02 A4 A9 34 01 00 00 
{86} normal block at 0x00000134A9A3C3A0, 16 bytes long.
 Data: < &#234; &#161;&#247;           > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000134A9A3CAD0, 16 bytes long.
 Data: <@&#233; &#161;&#247;           > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000134A9A3BF40, 16 bytes long.
 Data: <&#248;W&#138;&#161;&#247;           > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000134A9A3C5D0, 16 bytes long.
 Data: <&#216;W&#138;&#161;&#247;           > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x00000134A9A3C940, 16 bytes long.
 Data: <P &#138;&#161;&#247;           > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x00000134A9A3C350, 16 bytes long.
 Data: <0 &#138;&#161;&#247;           > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x00000134A9A3C9E0, 16 bytes long.
 Data: <&#224; &#138;&#161;&#247;           > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x00000134A9A3BFE0, 16 bytes long.
 Data: <  &#138;&#161;&#247;           > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000134A9A3CCB0, 16 bytes long.
 Data: <p &#138;&#161;&#247;           > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000134A9A3CBC0, 16 bytes long.
 Data: < &#192; &#161;&#247;           > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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