Task 38685203

Name test_148-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0554_0
Workunit 31626680
Created 27 Oct 2026, 19:56:01 UTC
Sent 27 Oct 2026, 19:56:06 UTC
Report deadline 1 Nov 2026, 19:56:06 UTC
Received 27 Oct 2026, 20:37:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 26 min
CPU time 22 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.47 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
16:12:14 (56788): wrapper (7.9.26016): starting
16:12:14 (56788): 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
16:12:16 (56788): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:12:16 (56788): 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\25\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\25\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
16:37:06 (56788): C:/Windows/system32/cmd.exe exited; CPU time 1355.531250
16:37:06 (56788): 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: 47563365 bytes.
Dumping objects ->
{3835602} normal block at 0x0000025D306E0270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x0000025D306E0C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x0000025D306E0430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x0000025D2E9E5470, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000025D2E9E5B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x0000025D3072B650, 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) : {3835514} normal block at 0x0000025D2E9DB6E0, 8 bytes long.
 Data: <  &#155;.]   > 00 00 9B 2E 5D 02 00 00 
{3833973} normal block at 0x0000025D2E9DC450, 8 bytes long.
 Data: <&#240;&#222;&#171;.]   > F0 DE AB 2E 5D 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000025D2E9E7AF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000025D2E9CD240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000025D2E9E64E0, 16 bytes long.
 Data: <hs&#158;.]           > 68 73 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000025D2E9E6E90, 16 bytes long.
 Data: <@s&#158;.]           > 40 73 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025D2E9DF2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000025D2E9E6490, 16 bytes long.
 Data: < s&#158;.]           > 18 73 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025D2E9E6A30, 16 bytes long.
 Data: <&#240;r&#158;.]           > F0 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025D2E9E67B0, 16 bytes long.
 Data: <&#200;r&#158;.]           > C8 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025D2E9E61C0, 16 bytes long.
 Data: <&#160;r&#158;.]           > A0 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025D2E9E5710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x0000025D2E9E6710, 16 bytes long.
 Data: <x&#199;&#156;.]           > 78 C7 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025D2E9DF270, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000025D2E9E6E40, 16 bytes long.
 Data: <P&#199;&#156;.]           > 50 C7 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025D2E9E62B0, 16 bytes long.
 Data: <(&#199;&#156;.]           > 28 C7 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025D2E9E6170, 16 bytes long.
 Data: < &#199;&#156;.]           > 00 C7 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025D2E9E6120, 16 bytes long.
 Data: <&#216;&#198;&#156;.]           > D8 C6 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025D2E9E6C60, 16 bytes long.
 Data: <&#176;&#198;&#156;.]           > B0 C6 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025D2E9E68A0, 16 bytes long.
 Data: < &#198;&#156;.]           > 88 C6 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025D2E9DFE10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000025D2E9E6670, 16 bytes long.
 Data: <`&#198;&#156;.]           > 60 C6 9C 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025D2E9CC660, 320 bytes long.
 Data: <pf&#158;.]    &#254; .]   > 70 66 9E 2E 5D 02 00 00 10 FE 9D 2E 5D 02 00 00 
{282} normal block at 0x0000025D2E9E6440, 16 bytes long.
 Data: < r&#158;.]           > 80 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025D2E9E6760, 16 bytes long.
 Data: <Xr&#158;.]           > 58 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025D2E9DFD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000025D2E9E6F30, 16 bytes long.
 Data: <0r&#158;.]           > 30 72 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025D2E9DFCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000025D2E9E63F0, 16 bytes long.
 Data: <xq&#158;.]           > 78 71 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025D2E9E65D0, 16 bytes long.
 Data: <Pq&#158;.]           > 50 71 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025D2E9E6080, 16 bytes long.
 Data: <(q&#158;.]           > 28 71 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025D2E9E60D0, 16 bytes long.
 Data: < q&#158;.]           > 00 71 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025D2E9E6350, 16 bytes long.
 Data: <&#216;p&#158;.]           > D8 70 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025D2E9E6800, 16 bytes long.
 Data: <&#176;p&#158;.]           > B0 70 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025D2E9E6C10, 16 bytes long.
 Data: <PU&#158;.]           > 50 55 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025D2E9E5550, 40 bytes long.
 Data: < l&#158;.]   P&#182;r0]   > 10 6C 9E 2E 5D 02 00 00 50 B6 72 30 5D 02 00 00 
{268} normal block at 0x0000025D2E9E63A0, 16 bytes long.
 Data: < p&#158;.]           > 90 70 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025D2E9E6260, 16 bytes long.
 Data: <hp&#158;.]           > 68 70 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025D2E9DFC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000025D2E9E6DA0, 16 bytes long.
 Data: <@p&#158;.]           > 40 70 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025D2E9E7040, 992 bytes long.
 Data: <&#160;m&#158;.]   0&#252; .]   > A0 6D 9E 2E 5D 02 00 00 30 FC 9D 2E 5D 02 00 00 
{100} normal block at 0x0000025D2E9DF4B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x0000025D2E9DBC30, 16 bytes long.
 Data: <&#224;T&#158;.]           > E0 54 9E 2E 5D 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000025D2E9E54E0, 40 bytes long.
 Data: <0&#188; .]   &#176;&#244; .]   > 30 BC 9D 2E 5D 02 00 00 B0 F4 9D 2E 5D 02 00 00 
{77} normal block at 0x0000025D2E9DBCD0, 16 bytes long.
 Data: < &#234;&#194;&#133;&#246;           > 80 EA C2 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000025D2E9DBBE0, 16 bytes long.
 Data: <@&#233;&#194;&#133;&#246;           > 40 E9 C2 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000025D2E9DC540, 16 bytes long.
 Data: <&#248;W&#191;&#133;&#246;           > F8 57 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000025D2E9DBEB0, 16 bytes long.
 Data: <&#216;W&#191;&#133;&#246;           > D8 57 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025D2E9DB780, 16 bytes long.
 Data: <P &#191;&#133;&#246;           > 50 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025D2E9DB960, 16 bytes long.
 Data: <0 &#191;&#133;&#246;           > 30 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025D2E9DBB40, 16 bytes long.
 Data: <&#224; &#191;&#133;&#246;           > E0 02 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025D2E9DC4F0, 16 bytes long.
 Data: <  &#191;&#133;&#246;           > 10 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025D2E9DBDC0, 16 bytes long.
 Data: <p &#191;&#133;&#246;           > 70 04 BF 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025D2E9DC2C0, 16 bytes long.
 Data: < &#192;&#189;&#133;&#246;           > 18 C0 BD 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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