Task 38656275

Name test_728-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1206_1
Workunit 31599385
Created 24 Oct 2026, 10:29:12 UTC
Sent 24 Oct 2026, 10:37:32 UTC
Report deadline 29 Oct 2026, 10:37:32 UTC
Received 24 Oct 2026, 11:10:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640448
Run time 25 min 58 sec
CPU time 24 min 41 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 768.37 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:44:25 (28236): wrapper (7.9.26016): starting
12:44:25 (28236): 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
12:44:26 (28236): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:44:26 (28236): 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
13:09:29 (28236): C:/Windows/system32/cmd.exe exited; CPU time 1481.812500
13:09:29 (28236): 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: 22825753 bytes.
Dumping objects ->
{3835422} normal block at 0x00000252574A4210, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835411} normal block at 0x00000252574A4050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835400} normal block at 0x00000252574A41A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835389} normal block at 0x00000252574A4360, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835378} normal block at 0x00000252574A3FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835347} normal block at 0x00000252592A72C0, 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) : {3835334} normal block at 0x000002525749F610, 8 bytes long.
 Data: <  &#165;WR   > 00 00 A5 57 52 02 00 00 
{3833961} normal block at 0x000002525749ED00, 8 bytes long.
 Data: <&#176;I3YR   > B0 49 33 59 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000252574A0E60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025257496A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000252574A4D30, 16 bytes long.
 Data: <h_JWR           > 68 5F 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000252574A48D0, 16 bytes long.
 Data: <@_JWR           > 40 5F 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000252574A0850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000252574A51E0, 16 bytes long.
 Data: < _JWR           > 18 5F 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252574A4880, 16 bytes long.
 Data: <&#240;^JWR           > F0 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000252574A5780, 16 bytes long.
 Data: <&#200;^JWR           > C8 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000252574A5190, 16 bytes long.
 Data: <&#160;^JWR           > A0 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002525748F090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000252574A4F10, 16 bytes long.
 Data: <(&#240;HWR           > 28 F0 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252574A0430, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000252574A4C90, 16 bytes long.
 Data: < &#240;HWR           > 00 F0 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000252574A4970, 16 bytes long.
 Data: <&#216;&#239;HWR           > D8 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000252574A4C40, 16 bytes long.
 Data: <&#176;&#239;HWR           > B0 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000252574A4E70, 16 bytes long.
 Data: < &#239;HWR           > 88 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252574A4CE0, 16 bytes long.
 Data: <`&#239;HWR           > 60 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000252574A5690, 16 bytes long.
 Data: <8&#239;HWR           > 38 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252574A0070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000252574A4AB0, 16 bytes long.
 Data: < &#239;HWR           > 10 EF 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002525748EF10, 320 bytes long.
 Data: <&#176;JJWR   p JWR   > B0 4A 4A 57 52 02 00 00 70 00 4A 57 52 02 00 00 
{276} normal block at 0x00000252574A4A10, 16 bytes long.
 Data: < ^JWR           > 80 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000252574A4BF0, 16 bytes long.
 Data: <X^JWR           > 58 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252574A0370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000252574A5640, 16 bytes long.
 Data: <0^JWR           > 30 5E 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002525749FB30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000252574A55A0, 16 bytes long.
 Data: <x]JWR           > 78 5D 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000252574A4BA0, 16 bytes long.
 Data: <P]JWR           > 50 5D 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000252574A4B50, 16 bytes long.
 Data: <(]JWR           > 28 5D 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000252574A55F0, 16 bytes long.
 Data: < ]JWR           > 00 5D 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000252574A5730, 16 bytes long.
 Data: <&#216;\JWR           > D8 5C 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000252574A5500, 16 bytes long.
 Data: <&#176;\JWR           > B0 5C 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000252574A4F60, 16 bytes long.
 Data: <&#160;&#229;HWR           > A0 E5 48 57 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002525748E5A0, 40 bytes long.
 Data: <`OJWR   &#192;r*YR   > 60 4F 4A 57 52 02 00 00 C0 72 2A 59 52 02 00 00 
{262} normal block at 0x00000252574A4A60, 16 bytes long.
 Data: < \JWR           > 90 5C 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000252574A49C0, 16 bytes long.
 Data: <h\JWR           > 68 5C 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002525749FFB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000252574A4EC0, 16 bytes long.
 Data: <@\JWR           > 40 5C 4A 57 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000252574A5C40, 992 bytes long.
 Data: <&#192;NJWR   &#176;&#255;IWR   > C0 4E 4A 57 52 02 00 00 B0 FF 49 57 52 02 00 00 
{94} normal block at 0x000002525749FAD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002525749F200, 16 bytes long.
 Data: <p;IWR           > 70 3B 49 57 52 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025257493B70, 40 bytes long.
 Data: < &#242;IWR   &#208;&#250;IWR   > 00 F2 49 57 52 02 00 00 D0 FA 49 57 52 02 00 00 
{71} normal block at 0x000002525749F570, 16 bytes long.
 Data: < &#234;&#241;"&#247;           > 80 EA F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002525749EE90, 16 bytes long.
 Data: <@&#233;&#241;"&#247;           > 40 E9 F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002525749ED50, 16 bytes long.
 Data: <&#248;W&#238;"&#247;           > F8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002525749F3E0, 16 bytes long.
 Data: <&#216;W&#238;"&#247;           > D8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002525749F0C0, 16 bytes long.
 Data: <P &#238;"&#247;           > 50 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002525749F340, 16 bytes long.
 Data: <0 &#238;"&#247;           > 30 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002525749F660, 16 bytes long.
 Data: <&#224; &#238;"&#247;           > E0 02 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002525749F110, 16 bytes long.
 Data: <  &#238;"&#247;           > 10 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002525749F480, 16 bytes long.
 Data: <p &#238;"&#247;           > 70 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002525749EF80, 16 bytes long.
 Data: < &#192;&#236;"&#247;           > 18 C0 EC 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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