Task 38682333

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND7124_0
Workunit 31623953
Created 27 Oct 2026, 7:23:38 UTC
Sent 27 Oct 2026, 7:23:38 UTC
Report deadline 1 Nov 2026, 7:23:38 UTC
Received 27 Oct 2026, 9:17:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 58 min 18 sec
CPU time 58 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.51 MB
Peak swap size 12.90 GB
Peak disk usage 3.71 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:18:02 (84636): wrapper (7.9.26016): starting
04:18:02 (84636): 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
04:18:03 (84636): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:18:03 (84636): 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\32\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\32\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
05:16:47 (84636): C:/Windows/system32/cmd.exe exited; CPU time 3498.140625
05:16:47 (84636): 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: 96252901 bytes.
Dumping objects ->
{3835512} normal block at 0x0000024D6F146B90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000024D6D345A80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000024D6D345A10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x0000024D6D3459A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000024D6D345930, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x0000024D6F09E9F0, 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) : {3835424} normal block at 0x0000024D6D33EDE0, 8 bytes long.
 Data: <   mM   > 00 00 8F 6D 4D 02 00 00 
{3833965} normal block at 0x0000024D6D33F600, 8 bytes long.
 Data: < &#211;AmM   > 00 D3 41 6D 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024D6D336950, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024D6D337BF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000024D6D346B10, 16 bytes long.
 Data: <Xx4mM           > 58 78 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024D6D346AC0, 16 bytes long.
 Data: <0x4mM           > 30 78 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024D6D3425F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000024D6D346A70, 16 bytes long.
 Data: < x4mM           > 08 78 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024D6D3471F0, 16 bytes long.
 Data: <&#224;w4mM           > E0 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024D6D347100, 16 bytes long.
 Data: <&#184;w4mM           > B8 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024D6D347010, 16 bytes long.
 Data: < w4mM           > 90 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024D6D345BD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000024D6D346C00, 16 bytes long.
 Data: <(a4mM           > 28 61 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024D6D3422F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000024D6D346A20, 16 bytes long.
 Data: < a4mM           > 00 61 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024D6D3469D0, 16 bytes long.
 Data: <&#216;`4mM           > D8 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024D6D346BB0, 16 bytes long.
 Data: <&#176;`4mM           > B0 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024D6D346890, 16 bytes long.
 Data: < `4mM           > 88 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024D6D346930, 16 bytes long.
 Data: <``4mM           > 60 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024D6D347290, 16 bytes long.
 Data: <8`4mM           > 38 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024D6D342530, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000024D6D346840, 16 bytes long.
 Data: < `4mM           > 10 60 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024D6D346010, 320 bytes long.
 Data: <@h4mM   0%4mM   > 40 68 34 6D 4D 02 00 00 30 25 34 6D 4D 02 00 00 
{278} normal block at 0x0000024D6D346B60, 16 bytes long.
 Data: <pw4mM           > 70 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024D6D3467F0, 16 bytes long.
 Data: <Hw4mM           > 48 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024D6D341FF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000024D6D346610, 16 bytes long.
 Data: < w4mM           > 20 77 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024D6D342410, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000024D6D346750, 16 bytes long.
 Data: <hv4mM           > 68 76 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024D6D347420, 16 bytes long.
 Data: <@v4mM           > 40 76 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024D6D346FC0, 16 bytes long.
 Data: < v4mM           > 18 76 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024D6D3467A0, 16 bytes long.
 Data: <&#240;u4mM           > F0 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024D6D346700, 16 bytes long.
 Data: <&#200;u4mM           > C8 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024D6D3465C0, 16 bytes long.
 Data: <&#160;u4mM           > A0 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024D6D346F70, 16 bytes long.
 Data: <&#224;^4mM           > E0 5E 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024D6D345EE0, 40 bytes long.
 Data: <po4mM   &#240;&#233;	oM   > 70 6F 34 6D 4D 02 00 00 F0 E9 09 6F 4D 02 00 00 
{264} normal block at 0x0000024D6D346F20, 16 bytes long.
 Data: < u4mM           > 80 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024D6D3468E0, 16 bytes long.
 Data: <Xu4mM           > 58 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024D6D341E70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000024D6D346980, 16 bytes long.
 Data: <0u4mM           > 30 75 34 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024D6D347530, 992 bytes long.
 Data: < i4mM   p 4mM   > 80 69 34 6D 4D 02 00 00 70 1E 34 6D 4D 02 00 00 
{96} normal block at 0x0000024D6D341DB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000024D6D33F290, 16 bytes long.
 Data: <  3mM           > 00 00 33 6D 4D 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000024D6D330000, 40 bytes long.
 Data: < &#242;3mM   &#176; 4mM   > 90 F2 33 6D 4D 02 00 00 B0 1D 34 6D 4D 02 00 00 
{73} normal block at 0x0000024D6D33F970, 16 bytes long.
 Data: < &#234;a&#229;&#247;           > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024D6D33F1F0, 16 bytes long.
 Data: <@&#233;a&#229;&#247;           > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024D6D33ECF0, 16 bytes long.
 Data: <&#248;W^&#229;&#247;           > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024D6D33F380, 16 bytes long.
 Data: <&#216;W^&#229;&#247;           > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024D6D33ED40, 16 bytes long.
 Data: <P ^&#229;&#247;           > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024D6D33F1A0, 16 bytes long.
 Data: <0 ^&#229;&#247;           > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024D6D33F0B0, 16 bytes long.
 Data: <&#224; ^&#229;&#247;           > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024D6D33ECA0, 16 bytes long.
 Data: <  ^&#229;&#247;           > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024D6D33F2E0, 16 bytes long.
 Data: <p ^&#229;&#247;           > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024D6D33EFC0, 16 bytes long.
 Data: < &#192;\&#229;&#247;           > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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