Task 38666661

Name test_489-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8856_2
Workunit 31609264
Created 25 Oct 2026, 4:17:35 UTC
Sent 25 Oct 2026, 4:56:28 UTC
Report deadline 30 Oct 2026, 4:56:28 UTC
Received 25 Oct 2026, 8:33:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 37 min 53 sec
CPU time 30 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.74 MB
Peak swap size 9.93 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:59:56 (33916): wrapper (7.9.26016): starting
16:59:56 (33916): 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
16:59:58 (33916): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:59:58 (33916): 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 'D:\BOINC\slots\19\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 'D:\BOINC\slots\19\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
17:31:15 (33916): C:/Windows/system32/cmd.exe exited; CPU time 1836.703125
17:31:15 (33916): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 36820429 bytes.
Dumping objects ->
{3835578} normal block at 0x00000190FE525680, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x0000019080740690, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x000001908073F970, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x000001908073FC70, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x0000019080740B10, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x00000190FE5251B0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x0000019080785530, 140 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) : {3835489} normal block at 0x00000190FE51F410, 8 bytes long.
 Data: <        > 00 00 0D 80 90 01 00 00 
{3834767} normal block at 0x0000019080784350, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x00000190FE51E9C0, 8 bytes long.
 Data: <P P     > 50 E1 50 FE 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000190FE517A50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000190FE50EF10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000190FE526700, 16 bytes long.
 Data: <xqR             > 78 71 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000190FE526660, 16 bytes long.
 Data: <PqR             > 50 71 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000190FE521820, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000190FE5262A0, 16 bytes long.
 Data: <(qR             > 28 71 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000190FE526CF0, 16 bytes long.
 Data: < qR             > 00 71 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000190FE525F30, 16 bytes long.
 Data: <&#216;pR             > D8 70 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000190FE526250, 16 bytes long.
 Data: <&#176;pR             > B0 70 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000190FE525530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000190FE526160, 16 bytes long.
 Data: <&#200;&#167;Q             > C8 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000190FE521400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000190FE525F80, 16 bytes long.
 Data: < &#167;Q             > A0 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000190FE5267A0, 16 bytes long.
 Data: <x&#167;Q             > 78 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000190FE5260C0, 16 bytes long.
 Data: <P&#167;Q             > 50 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000190FE526570, 16 bytes long.
 Data: <(&#167;Q             > 28 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000190FE526930, 16 bytes long.
 Data: < &#167;Q             > 00 A7 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000190FE526520, 16 bytes long.
 Data: <&#216;&#166;Q             > D8 A6 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000190FE521520, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000190FE5265C0, 16 bytes long.
 Data: <&#176;&#166;Q             > B0 A6 51 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000190FE51A6B0, 320 bytes long.
 Data: <&#192;eR       R     > C0 65 52 FE 90 01 00 00 20 15 52 FE 90 01 00 00 
{279} normal block at 0x00000190FE526750, 16 bytes long.
 Data: < pR             > 90 70 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000190FE526A70, 16 bytes long.
 Data: <hpR             > 68 70 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000190FE520DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000190FE526610, 16 bytes long.
 Data: <@pR             > 40 70 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000190FE521700, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000190FE526070, 16 bytes long.
 Data: < oR             > 88 6F 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000190FE526110, 16 bytes long.
 Data: <`oR             > 60 6F 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000190FE526B60, 16 bytes long.
 Data: <8oR             > 38 6F 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000190FE5261B0, 16 bytes long.
 Data: < oR             > 10 6F 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000190FE526430, 16 bytes long.
 Data: < nR             > E8 6E 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000190FE526200, 16 bytes long.
 Data: <&#192;nR             > C0 6E 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000190FE526D90, 16 bytes long.
 Data: <`WR             > 60 57 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000190FE525760, 40 bytes long.
 Data: < mR     &#176;QR     > 90 6D 52 FE 90 01 00 00 B0 51 52 FE 90 01 00 00 
{265} normal block at 0x00000190FE526A20, 16 bytes long.
 Data: < nR             > A0 6E 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000190FE5263E0, 16 bytes long.
 Data: <xnR             > 78 6E 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000190FE5217C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000190FE5262F0, 16 bytes long.
 Data: <PnR             > 50 6E 52 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000190FE526E50, 992 bytes long.
 Data: < bR     &#192; R     > F0 62 52 FE 90 01 00 00 C0 17 52 FE 90 01 00 00 
{97} normal block at 0x00000190FE520C20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000190FE51F690, 16 bytes long.
 Data: <&#176;&#208;P             > B0 D0 50 FE 90 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000190FE50D0B0, 40 bytes long.
 Data: <  Q       R     > 90 F6 51 FE 90 01 00 00 20 0C 52 FE 90 01 00 00 
{72} normal block at 0x00000190FE51F550, 16 bytes long.
 Data: <   &#184;            > 80 EA 86 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000190FE51F500, 16 bytes long.
 Data: <@  &#184;            > 40 E9 86 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000190FE51F460, 16 bytes long.
 Data: < W &#184;            > F8 57 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000190FE51F370, 16 bytes long.
 Data: <&#216;W &#184;            > D8 57 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000190FE51E920, 16 bytes long.
 Data: <P  &#184;            > 50 04 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000190FE51EF60, 16 bytes long.
 Data: <0  &#184;            > 30 04 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000190FE51F1E0, 16 bytes long.
 Data: <   &#184;            > E0 02 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000190FE51F640, 16 bytes long.
 Data: <   &#184;            > 10 04 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000190FE51EEC0, 16 bytes long.
 Data: <p  &#184;            > 70 04 83 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000190FE51F0A0, 16 bytes long.
 Data: < &#192; &#184;            > 18 C0 81 B8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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