Task 38685307

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5509_0
Workunit 31626782
Created 27 Oct 2026, 20:25:01 UTC
Sent 27 Oct 2026, 20:25:03 UTC
Report deadline 1 Nov 2026, 20:25:03 UTC
Received 28 Oct 2026, 0:43:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590723
Run time 54 min 22 sec
CPU time 47 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.67 MB
Peak swap size 8.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:49:24 (6120): wrapper (7.9.26016): starting
18:49:24 (6120): 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
18:49:25 (6120): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:49:25 (6120): 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
19:42:46 (6120): C:/Windows/system32/cmd.exe exited; CPU time 2848.265625
19:42:46 (6120): 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: 49773351 bytes.
Dumping objects ->
{3835508} normal block at 0x000001DB7FE44F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x000001DB7FE44EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835486} normal block at 0x000001DB7FE44E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835475} normal block at 0x000001DB7FE44E10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x000001DB7FE45120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835433} normal block at 0x000001DB01AB9C30, 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) : {3835420} normal block at 0x000001DB7FE3F0A0, 8 bytes long.
 Data: <  9 &#219;   > 00 00 39 00 DB 01 00 00 
{3833967} normal block at 0x000001DB7FE3EE70, 8 bytes long.
 Data: < &#239;&#226; &#219;   > 10 EF E2 7F DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001DB7FE369A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001DB7FE377D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001DB7FE45DC0, 16 bytes long.
 Data: <&#200;n&#228; &#219;           > C8 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001DB7FE463B0, 16 bytes long.
 Data: <&#160;n&#228; &#219;           > A0 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DB7FE40620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001DB7FE468B0, 16 bytes long.
 Data: <xn&#228; &#219;           > 78 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DB7FE46860, 16 bytes long.
 Data: <Pn&#228; &#219;           > 50 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB7FE46540, 16 bytes long.
 Data: <(n&#228; &#219;           > 28 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DB7FE46310, 16 bytes long.
 Data: < n&#228; &#219;           > 00 6E E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB7FE45430, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001DB7FE46720, 16 bytes long.
 Data: <&#216;&#255;&#226; &#219;           > D8 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB7FE40C20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001DB7FE461D0, 16 bytes long.
 Data: <&#176;&#255;&#226; &#219;           > B0 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB7FE45F00, 16 bytes long.
 Data: < &#255;&#226; &#219;           > 88 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DB7FE46360, 16 bytes long.
 Data: <`&#255;&#226; &#219;           > 60 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DB7FE46770, 16 bytes long.
 Data: <8&#255;&#226; &#219;           > 38 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB7FE462C0, 16 bytes long.
 Data: < &#255;&#226; &#219;           > 10 FF E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DB7FE46130, 16 bytes long.
 Data: <&#232;&#254;&#226; &#219;           > E8 FE E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB7FE40BC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001DB7FE46810, 16 bytes long.
 Data: <&#192;&#254;&#226; &#219;           > C0 FE E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB7FE2FEC0, 320 bytes long.
 Data: < h&#228; &#219;   &#192; &#228; &#219;   > 10 68 E4 7F DB 01 00 00 C0 0B E4 7F DB 01 00 00 
{279} normal block at 0x000001DB7FE467C0, 16 bytes long.
 Data: <&#224;m&#228; &#219;           > E0 6D E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB7FE45CD0, 16 bytes long.
 Data: <&#184;m&#228; &#219;           > B8 6D E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB7FE40DA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001DB7FE460E0, 16 bytes long.
 Data: < m&#228; &#219;           > 90 6D E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DB7FE409E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001DB7FE46A90, 16 bytes long.
 Data: <&#216;l&#228; &#219;           > D8 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DB7FE45C80, 16 bytes long.
 Data: <&#176;l&#228; &#219;           > B0 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB7FE46090, 16 bytes long.
 Data: < l&#228; &#219;           > 88 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DB7FE46040, 16 bytes long.
 Data: <`l&#228; &#219;           > 60 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DB7FE45C30, 16 bytes long.
 Data: <8l&#228; &#219;           > 38 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB7FE46270, 16 bytes long.
 Data: < l&#228; &#219;           > 10 6C E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB7FE46180, 16 bytes long.
 Data: <&#224;R&#228; &#219;           > E0 52 E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB7FE452E0, 40 bytes long.
 Data: < a&#228; &#219;   0&#156;&#171; &#219;   > 80 61 E4 7F DB 01 00 00 30 9C AB 01 DB 01 00 00 
{265} normal block at 0x000001DB7FE45BE0, 16 bytes long.
 Data: <&#240;k&#228; &#219;           > F0 6B E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB7FE46680, 16 bytes long.
 Data: <&#200;k&#228; &#219;           > C8 6B E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB7FE40980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001DB7FE46B30, 16 bytes long.
 Data: <&#160;k&#228; &#219;           > A0 6B E4 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB7FE46BA0, 992 bytes long.
 Data: <0k&#228; &#219;    	&#228; &#219;   > 30 6B E4 7F DB 01 00 00 80 09 E4 7F DB 01 00 00 
{97} normal block at 0x000001DB7FE41160, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001DB7FE3E920, 16 bytes long.
 Data: < &#204;&#226; &#219;           > 00 CC E2 7F DB 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001DB7FE2CC00, 40 bytes long.
 Data: < &#233;&#227; &#219;   ` &#228; &#219;   > 20 E9 E3 7F DB 01 00 00 60 11 E4 7F DB 01 00 00 
{74} normal block at 0x000001DB7FE3F4B0, 16 bytes long.
 Data: < &#234;&#160;&#176;&#246;           > 80 EA A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001DB7FE3F3C0, 16 bytes long.
 Data: <@&#233;&#160;&#176;&#246;           > 40 E9 A0 B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DB7FE3E8D0, 16 bytes long.
 Data: <&#248;W &#176;&#246;           > F8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DB7FE3EE20, 16 bytes long.
 Data: <&#216;W &#176;&#246;           > D8 57 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DB7FE3ED80, 16 bytes long.
 Data: <P  &#176;&#246;           > 50 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DB7FE3E880, 16 bytes long.
 Data: <0  &#176;&#246;           > 30 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DB7FE3EFB0, 16 bytes long.
 Data: <&#224;  &#176;&#246;           > E0 02 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB7FE3F500, 16 bytes long.
 Data: <   &#176;&#246;           > 10 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB7FE3F320, 16 bytes long.
 Data: <p  &#176;&#246;           > 70 04 9D B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB7FE3EC40, 16 bytes long.
 Data: < &#192;&#155;&#176;&#246;           > 18 C0 9B B0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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