Task 38646949

Name test_217-GPUGRID_TEST_ATM_1000_20261023-0-1-RND7318_1
Workunit 31591054
Created 23 Oct 2026, 17:26:24 UTC
Sent 23 Oct 2026, 18:22:51 UTC
Report deadline 28 Oct 2026, 18:22:51 UTC
Received 23 Oct 2026, 22:45:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 594606
Run time 56 min 36 sec
CPU time 56 min 36 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 9,101.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.85 MB
Peak swap size 14.40 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:49:23 (37540): wrapper (7.9.26016): starting
17:49:23 (37540): 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
17:49:26 (37540): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:49:26 (37540): 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:\ProgramData\BOINC\slots\3\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:\ProgramData\BOINC\slots\3\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
18:44:22 (37540): C:/Windows/system32/cmd.exe exited; CPU time 3396.296875
18:44:22 (37540): 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: 63410791 bytes.
Dumping objects ->
{3835255} normal block at 0x0000021638DAE340, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000021636E03CB0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021636E03C40, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000021636E042D0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021636E04260, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000021638DFAD00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000021636DFF850, 8 bytes long.
 Data: <  &#218;6    > 00 00 DA 36 16 02 00 00 
{3833953} normal block at 0x0000021636DFF4E0, 8 bytes long.
 Data: <&#192;&#245;&#224;8    > C0 F5 E0 38 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000021636E05DC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021636DED0D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000021636E05200, 16 bytes long.
 Data: <x\&#224;6            > 78 5C E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021636E05570, 16 bytes long.
 Data: <P\&#224;6            > 50 5C E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021636E00AD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000021636E056B0, 16 bytes long.
 Data: <(\&#224;6            > 28 5C E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021636E050C0, 16 bytes long.
 Data: < \&#224;6            > 00 5C E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021636E05840, 16 bytes long.
 Data: <&#216;[&#224;6            > D8 5B E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021636E05890, 16 bytes long.
 Data: <&#176;[&#224;6            > B0 5B E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021636E03BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000021636E04F30, 16 bytes long.
 Data: <(&#149;&#223;6            > 28 95 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021636E00290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000021636E057F0, 16 bytes long.
 Data: < &#149;&#223;6            > 00 95 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021636E05020, 16 bytes long.
 Data: <&#216;&#148;&#223;6            > D8 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021636E057A0, 16 bytes long.
 Data: <&#176;&#148;&#223;6            > B0 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021636E04B20, 16 bytes long.
 Data: < &#148;&#223;6            > 88 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021636E051B0, 16 bytes long.
 Data: <`&#148;&#223;6            > 60 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021636E05610, 16 bytes long.
 Data: <8&#148;&#223;6            > 38 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021636E009B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000021636E04FD0, 16 bytes long.
 Data: < &#148;&#223;6            > 10 94 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021636DF9410, 320 bytes long.
 Data: <&#208;O&#224;6    &#176;	&#224;6    > D0 4F E0 36 16 02 00 00 B0 09 E0 36 16 02 00 00 
{272} normal block at 0x0000021636E05750, 16 bytes long.
 Data: < [&#224;6            > 90 5B E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021636E04B70, 16 bytes long.
 Data: <h[&#224;6            > 68 5B E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021636E00D70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000021636E053E0, 16 bytes long.
 Data: <@[&#224;6            > 40 5B E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021636E00050, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000021636E04C10, 16 bytes long.
 Data: < Z&#224;6            > 88 5A E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021636E05390, 16 bytes long.
 Data: <`Z&#224;6            > 60 5A E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021636E04EE0, 16 bytes long.
 Data: <8Z&#224;6            > 38 5A E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021636E05070, 16 bytes long.
 Data: < Z&#224;6            > 10 5A E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021636E04E90, 16 bytes long.
 Data: <&#232;Y&#224;6            > E8 59 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021636E04AD0, 16 bytes long.
 Data: <&#192;Y&#224;6            > C0 59 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021636E05700, 16 bytes long.
 Data: < A&#224;6            > 10 41 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021636E04110, 40 bytes long.
 Data: < W&#224;6     &#173;&#223;8    > 00 57 E0 36 16 02 00 00 00 AD DF 38 16 02 00 00 
{258} normal block at 0x0000021636E055C0, 16 bytes long.
 Data: <&#160;Y&#224;6            > A0 59 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021636E04BC0, 16 bytes long.
 Data: <xY&#224;6            > 78 59 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021636E00B30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000021636E05250, 16 bytes long.
 Data: <PY&#224;6            > 50 59 E0 36 16 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000021636E05950, 992 bytes long.
 Data: <PR&#224;6    0 &#224;6    > 50 52 E0 36 16 02 00 00 30 0B E0 36 16 02 00 00 
{90} normal block at 0x0000021636E002F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000021636DFFB20, 16 bytes long.
 Data: <&#160;&#147;&#223;6            > A0 93 DF 36 16 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000021636DF93A0, 40 bytes long.
 Data: < &#251;&#223;6    &#240; &#224;6    > 20 FB DF 36 16 02 00 00 F0 02 E0 36 16 02 00 00 
{67} normal block at 0x0000021636DFF030, 16 bytes long.
 Data: < &#234;&#218;m&#247;           > 80 EA DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021636DFEFE0, 16 bytes long.
 Data: <@&#233;&#218;m&#247;           > 40 E9 DA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021636DFF2B0, 16 bytes long.
 Data: <&#248;W&#215;m&#247;           > F8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021636DFF940, 16 bytes long.
 Data: <&#216;W&#215;m&#247;           > D8 57 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021636DFFA30, 16 bytes long.
 Data: <P &#215;m&#247;           > 50 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021636DFEDB0, 16 bytes long.
 Data: <0 &#215;m&#247;           > 30 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021636DFF1C0, 16 bytes long.
 Data: <&#224; &#215;m&#247;           > E0 02 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021636DFF260, 16 bytes long.
 Data: <  &#215;m&#247;           > 10 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021636DFEEA0, 16 bytes long.
 Data: <p &#215;m&#247;           > 70 04 D7 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021636DFEF90, 16 bytes long.
 Data: < &#192;&#213;m&#247;           > 18 C0 D5 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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