Task 38681119

Name test_906-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9325_0
Workunit 31622802
Created 27 Oct 2026, 2:44:51 UTC
Sent 27 Oct 2026, 2:45:01 UTC
Report deadline 1 Nov 2026, 2:45:01 UTC
Received 27 Oct 2026, 3:41:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464557
Run time 28 min 9 sec
CPU time 26 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,072.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 678.48 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:13:12 (13016): wrapper (7.9.26016): starting
04:13:12 (13016): 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
04:13:13 (13016): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:13:13 (13016): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
04:40:19 (13016): C:/Windows/system32/cmd.exe exited; CPU time 1603.984375
04:40:19 (13016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 19767939 bytes.
Dumping objects ->
{3835241} normal block at 0x000001C45C290B70, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835230} normal block at 0x000001C45C290C50, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835219} normal block at 0x000001C45C2919E0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835208} normal block at 0x000001C45C291040, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835197} normal block at 0x000001C45C2916D0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835166} normal block at 0x000001C45C41EF10, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835155} normal block at 0x000001C45C507870, 160 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) : {3835152} normal block at 0x000001C45A848DE0, 8 bytes long.
 Data: <  *\&#196;   > 00 00 2A 5C C4 01 00 00 
{3834548} normal block at 0x000001C45C507170, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001C45A848930, 8 bytes long.
 Data: <0UL\&#196;   > 30 55 4C 5C C4 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001C45A854860, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C45A836300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001C45A8562A0, 16 bytes long.
 Data: <&#216;k&#133;Z&#196;           > D8 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C45A8559E0, 16 bytes long.
 Data: <&#176;k&#133;Z&#196;           > B0 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C45A84DA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001C45A856750, 16 bytes long.
 Data: < k&#133;Z&#196;           > 88 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C45A855AD0, 16 bytes long.
 Data: <`k&#133;Z&#196;           > 60 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C45A856340, 16 bytes long.
 Data: <8k&#133;Z&#196;           > 38 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C45A855E40, 16 bytes long.
 Data: < k&#133;Z&#196;           > 10 6B 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C45A84F7B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001C45A855990, 16 bytes long.
 Data: < b&#131;Z&#196;           > 98 62 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C45A84DFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001C45A855DF0, 16 bytes long.
 Data: <pb&#131;Z&#196;           > 70 62 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C45A856160, 16 bytes long.
 Data: <Hb&#131;Z&#196;           > 48 62 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C45A856110, 16 bytes long.
 Data: < b&#131;Z&#196;           > 20 62 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C45A855EE0, 16 bytes long.
 Data: <&#248;a&#131;Z&#196;           > F8 61 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C45A855D00, 16 bytes long.
 Data: <&#208;a&#131;Z&#196;           > D0 61 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C45A856250, 16 bytes long.
 Data: <&#168;a&#131;Z&#196;           > A8 61 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C45A84DC60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001C45A855E90, 16 bytes long.
 Data: < a&#131;Z&#196;           > 80 61 83 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C45A836180, 320 bytes long.
 Data: < ^&#133;Z&#196;   `&#220;&#132;Z&#196;   > 90 5E 85 5A C4 01 00 00 60 DC 84 5A C4 01 00 00 
{271} normal block at 0x000001C45A856200, 16 bytes long.
 Data: <&#240;j&#133;Z&#196;           > F0 6A 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C45A855CB0, 16 bytes long.
 Data: <&#200;j&#133;Z&#196;           > C8 6A 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C45A84D7E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001C45A855C60, 16 bytes long.
 Data: <&#160;j&#133;Z&#196;           > A0 6A 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C45A84D5A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001C45A8558F0, 16 bytes long.
 Data: <&#232;i&#133;Z&#196;           > E8 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C45A855BC0, 16 bytes long.
 Data: <&#192;i&#133;Z&#196;           > C0 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C45A8560C0, 16 bytes long.
 Data: < i&#133;Z&#196;           > 98 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C45A856840, 16 bytes long.
 Data: <pi&#133;Z&#196;           > 70 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C45A855D50, 16 bytes long.
 Data: <Hi&#133;Z&#196;           > 48 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C45A856700, 16 bytes long.
 Data: < i&#133;Z&#196;           > 20 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001C45A855A80, 16 bytes long.
 Data: < &#248;&#132;Z&#196;           > 90 F8 84 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C45A84F890, 40 bytes long.
 Data: < Z&#133;Z&#196;    &#239;A\&#196;   > 80 5A 85 5A C4 01 00 00 10 EF 41 5C C4 01 00 00 
{257} normal block at 0x000001C45A856070, 16 bytes long.
 Data: < i&#133;Z&#196;           > 00 69 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001C45A855F30, 16 bytes long.
 Data: <&#216;h&#133;Z&#196;           > D8 68 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C45A84D660, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001C45A855C10, 16 bytes long.
 Data: <&#176;h&#133;Z&#196;           > B0 68 85 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001C45A8568B0, 992 bytes long.
 Data: < \&#133;Z&#196;   `&#214;&#132;Z&#196;   > 10 5C 85 5A C4 01 00 00 60 D6 84 5A C4 01 00 00 
{89} normal block at 0x000001C45A84D720, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001C45A8493D0, 16 bytes long.
 Data: <0&#251;&#132;Z&#196;           > 30 FB 84 5A C4 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001C45A84FB30, 40 bytes long.
 Data: <&#208;&#147;&#132;Z&#196;    &#215;&#132;Z&#196;   > D0 93 84 5A C4 01 00 00 20 D7 84 5A C4 01 00 00 
{66} normal block at 0x000001C45A8491A0, 16 bytes long.
 Data: < &#234;&#238;&#224;&#247;           > 80 EA EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C45A848890, 16 bytes long.
 Data: <@&#233;&#238;&#224;&#247;           > 40 E9 EE E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C45A8487F0, 16 bytes long.
 Data: <&#248;W&#235;&#224;&#247;           > F8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C45A848A70, 16 bytes long.
 Data: <&#216;W&#235;&#224;&#247;           > D8 57 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C45A849150, 16 bytes long.
 Data: <P &#235;&#224;&#247;           > 50 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C45A849100, 16 bytes long.
 Data: <0 &#235;&#224;&#247;           > 30 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C45A848F70, 16 bytes long.
 Data: <&#224; &#235;&#224;&#247;           > E0 02 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C45A849470, 16 bytes long.
 Data: <  &#235;&#224;&#247;           > 10 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C45A848ED0, 16 bytes long.
 Data: <p &#235;&#224;&#247;           > 70 04 EB E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C45A848840, 16 bytes long.
 Data: < &#192;&#233;&#224;&#247;           > 18 C0 E9 E0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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