Task 38683591

Name test_181-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2035_1
Workunit 31623961
Created 27 Oct 2026, 12:27:10 UTC
Sent 27 Oct 2026, 12:27:13 UTC
Report deadline 1 Nov 2026, 12:27:13 UTC
Received 27 Oct 2026, 14:12:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 602451
Run time 1 hours 43 min 47 sec
CPU time 1 hours 39 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,200.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.59 MB
Peak swap size 5.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:28:11 (18696): wrapper (7.9.26016): starting
13:28:11 (18696): 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
13:28:13 (18696): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:28:13 (18696): 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\1\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\1\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
15:11:48 (18696): C:/Windows/system32/cmd.exe exited; CPU time 5940.000000
15:11:48 (18696): 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: 99915593 bytes.
Dumping objects ->
{3835513} normal block at 0x0000022E178852B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x0000022E178850F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835491} normal block at 0x0000022E17884D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835480} normal block at 0x0000022E17885010, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835469} normal block at 0x0000022E17884FA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835438} normal block at 0x0000022E194FA8C0, 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) : {3835425} normal block at 0x0000022E1787F000, 8 bytes long.
 Data: <  &#197; .   > 00 00 C5 17 2E 02 00 00 
{3833967} normal block at 0x0000022E1787EDD0, 8 bytes long.
 Data: < JU .   > 20 4A 55 19 2E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022E178811B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022E17876100, 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 0x0000022E17885860, 16 bytes long.
 Data: < g  .           > 88 67 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022E17885810, 16 bytes long.
 Data: <`g  .           > 60 67 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022E17880120, 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 0x0000022E17885EA0, 16 bytes long.
 Data: <8g  .           > 38 67 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022E17885950, 16 bytes long.
 Data: < g  .           > 10 67 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022E178854A0, 16 bytes long.
 Data: <&#232;f  .           > E8 66 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022E17886030, 16 bytes long.
 Data: <&#192;f  .           > C0 66 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022E178851D0, 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 0x0000022E17885900, 16 bytes long.
 Data: <X&#182;&#134; .           > 58 B6 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022E1787FFA0, 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 0x0000022E17885E50, 16 bytes long.
 Data: <0&#182;&#134; .           > 30 B6 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022E17885680, 16 bytes long.
 Data: < &#182;&#134; .           > 08 B6 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022E178861C0, 16 bytes long.
 Data: <&#224;&#181;&#134; .           > E0 B5 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022E17885A90, 16 bytes long.
 Data: <&#184;&#181;&#134; .           > B8 B5 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022E178857C0, 16 bytes long.
 Data: < &#181;&#134; .           > 90 B5 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022E17885E00, 16 bytes long.
 Data: <h&#181;&#134; .           > 68 B5 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022E1787FF40, 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 0x0000022E17885770, 16 bytes long.
 Data: <@&#181;&#134; .           > 40 B5 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022E1786B540, 320 bytes long.
 Data: <pW  .   @&#255;&#135; .   > 70 57 88 17 2E 02 00 00 40 FF 87 17 2E 02 00 00 
{279} normal block at 0x0000022E17886260, 16 bytes long.
 Data: <&#160;f  .           > A0 66 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022E17885DB0, 16 bytes long.
 Data: <xf  .           > 78 66 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022E1787FDC0, 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 0x0000022E17885630, 16 bytes long.
 Data: <Pf  .           > 50 66 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022E17880420, 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 0x0000022E17885590, 16 bytes long.
 Data: < e  .           > 98 65 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022E178854F0, 16 bytes long.
 Data: <pe  .           > 70 65 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022E17886170, 16 bytes long.
 Data: <He  .           > 48 65 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022E17885D10, 16 bytes long.
 Data: < e  .           > 20 65 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022E17886120, 16 bytes long.
 Data: <&#248;d  .           > F8 64 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022E17885BD0, 16 bytes long.
 Data: <&#208;d  .           > D0 64 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022E178859F0, 16 bytes long.
 Data: <`Q  .           > 60 51 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022E17885160, 40 bytes long.
 Data: <&#240;Y  .   &#192;&#168;O .   > F0 59 88 17 2E 02 00 00 C0 A8 4F 19 2E 02 00 00 
{265} normal block at 0x0000022E17885720, 16 bytes long.
 Data: <&#176;d  .           > B0 64 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022E17886350, 16 bytes long.
 Data: < d  .           > 88 64 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022E178803C0, 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 0x0000022E17886080, 16 bytes long.
 Data: <`d  .           > 60 64 88 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022E17886460, 992 bytes long.
 Data: < `  .   &#192;   .   > 80 60 88 17 2E 02 00 00 C0 03 88 17 2E 02 00 00 
{97} normal block at 0x0000022E17880300, 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 0x0000022E1787EB00, 16 bytes long.
 Data: < &#239;&#134; .           > 90 EF 86 17 2E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022E1786EF90, 40 bytes long.
 Data: < &#235;&#135; .       .   > 00 EB 87 17 2E 02 00 00 00 03 88 17 2E 02 00 00 
{74} normal block at 0x0000022E1787EA10, 16 bytes long.
 Data: < &#234;&#206;]&#247;           > 80 EA CE 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022E1787EFB0, 16 bytes long.
 Data: <@&#233;&#206;]&#247;           > 40 E9 CE 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022E1787F780, 16 bytes long.
 Data: <&#248;W&#203;]&#247;           > F8 57 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022E1787E8D0, 16 bytes long.
 Data: <&#216;W&#203;]&#247;           > D8 57 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022E1787EBF0, 16 bytes long.
 Data: <P &#203;]&#247;           > 50 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022E1787EAB0, 16 bytes long.
 Data: <0 &#203;]&#247;           > 30 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022E1787EF60, 16 bytes long.
 Data: <&#224; &#203;]&#247;           > E0 02 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022E1787EA60, 16 bytes long.
 Data: <  &#203;]&#247;           > 10 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022E1787F3C0, 16 bytes long.
 Data: <p &#203;]&#247;           > 70 04 CB 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022E1787EF10, 16 bytes long.
 Data: < &#192;&#201;]&#247;           > 18 C0 C9 5D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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