Task 38658160

Name test_129-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND3328_1
Workunit 31597892
Created 24 Oct 2026, 12:23:35 UTC
Sent 24 Oct 2026, 12:30:14 UTC
Report deadline 29 Oct 2026, 12:30:14 UTC
Received 24 Oct 2026, 12:51:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 18 min 2 sec
CPU time 17 min 23 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.85 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:33:12 (32540): wrapper (7.9.26016): starting
14:33:12 (32540): 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
14:33:13 (32540): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:33:13 (32540): 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
14:50:37 (32540): C:/Windows/system32/cmd.exe exited; CPU time 1043.921875
14:50:37 (32540): 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: 19847933 bytes.
Dumping objects ->
{3835250} normal block at 0x000002486579F560, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x000002486579F800, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002486579F6B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000024865770C70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000024865770960, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000024867490D00, 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) : {3835162} normal block at 0x0000024865771BE0, 8 bytes long.
 Data: <  oeH   > 00 00 6F 65 48 02 00 00 
{3833969} normal block at 0x0000024865771EB0, 8 bytes long.
 Data: <0&#231;yeH   > 30 E7 79 65 48 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000024865779310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002486575D4F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000248657764A0, 16 bytes long.
 Data: <&#200;sweH           > C8 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024865776F90, 16 bytes long.
 Data: <&#160;sweH           > A0 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002486576F3D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000024865776450, 16 bytes long.
 Data: <xsweH           > 78 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024865776C70, 16 bytes long.
 Data: <PsweH           > 50 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024865776360, 16 bytes long.
 Data: <(sweH           > 28 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024865776860, 16 bytes long.
 Data: < sweH           > 00 73 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024865770E30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000024865776400, 16 bytes long.
 Data: <&#200; ueH           > C8 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002486576F370, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000024865776810, 16 bytes long.
 Data: <&#160; ueH           > A0 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024865776540, 16 bytes long.
 Data: <x ueH           > 78 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024865776E00, 16 bytes long.
 Data: <P ueH           > 50 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024865776EA0, 16 bytes long.
 Data: <( ueH           > 28 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000248657760E0, 16 bytes long.
 Data: <  ueH           > 00 BD 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024865776720, 16 bytes long.
 Data: <&#216;&#188;ueH           > D8 BC 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002486576EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x0000024865776C20, 16 bytes long.
 Data: <&#176;&#188;ueH           > B0 BC 75 65 48 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002486575BCB0, 320 bytes long.
 Data: < lweH   &#176;&#239;veH   > 20 6C 77 65 48 02 00 00 B0 EF 76 65 48 02 00 00 
{280} normal block at 0x00000248657769F0, 16 bytes long.
 Data: <&#224;rweH           > E0 72 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024865776E50, 16 bytes long.
 Data: <&#184;rweH           > B8 72 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002486576F0D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000024865776180, 16 bytes long.
 Data: < rweH           > 90 72 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002486576FAF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000024865776FE0, 16 bytes long.
 Data: <&#216;qweH           > D8 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024865776310, 16 bytes long.
 Data: <&#176;qweH           > B0 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000248657763B0, 16 bytes long.
 Data: < qweH           > 88 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024865776A40, 16 bytes long.
 Data: <`qweH           > 60 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024865776DB0, 16 bytes long.
 Data: <8qweH           > 38 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000248657767C0, 16 bytes long.
 Data: < qweH           > 10 71 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024865776CC0, 16 bytes long.
 Data: <&#208;	weH           > D0 09 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000248657709D0, 40 bytes long.
 Data: <&#192;lweH     IgH   > C0 6C 77 65 48 02 00 00 00 0D 49 67 48 02 00 00 
{266} normal block at 0x0000024865776B80, 16 bytes long.
 Data: <&#240;pweH           > F0 70 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024865776B30, 16 bytes long.
 Data: <&#200;pweH           > C8 70 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002486576F2B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000024865776770, 16 bytes long.
 Data: <&#160;pweH           > A0 70 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000248657770A0, 992 bytes long.
 Data: <pgweH   &#176;&#242;veH   > 70 67 77 65 48 02 00 00 B0 F2 76 65 48 02 00 00 
{98} normal block at 0x000002486576EEF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000024865771460, 16 bytes long.
 Data: <&#176; weH           > B0 0A 77 65 48 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000024865770AB0, 40 bytes long.
 Data: <` weH   &#240;&#238;veH   > 60 14 77 65 48 02 00 00 F0 EE 76 65 48 02 00 00 
{75} normal block at 0x0000024865771AA0, 16 bytes long.
 Data: < &#234;&#148;q&#246;           > 80 EA 94 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000024865771C80, 16 bytes long.
 Data: <@&#233;&#148;q&#246;           > 40 E9 94 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000248657713C0, 16 bytes long.
 Data: <&#248;W&#145;q&#246;           > F8 57 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024865771B90, 16 bytes long.
 Data: <&#216;W&#145;q&#246;           > D8 57 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024865771190, 16 bytes long.
 Data: <P &#145;q&#246;           > 50 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024865771550, 16 bytes long.
 Data: <0 &#145;q&#246;           > 30 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000248657711E0, 16 bytes long.
 Data: <&#224; &#145;q&#246;           > E0 02 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024865771960, 16 bytes long.
 Data: <  &#145;q&#246;           > 10 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024865771870, 16 bytes long.
 Data: <p &#145;q&#246;           > 70 04 91 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024865771280, 16 bytes long.
 Data: < &#192;&#143;q&#246;           > 18 C0 8F 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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