Task 38672524

Name test_658-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND9199_0
Workunit 31614659
Created 25 Oct 2026, 23:40:05 UTC
Sent 25 Oct 2026, 23:40:09 UTC
Report deadline 30 Oct 2026, 23:40:09 UTC
Received 26 Oct 2026, 1:49:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539539
Run time 1 hours 4 min 18 sec
CPU time 1 hours 2 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,056.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 675.99 MB
Peak swap size 5.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:45:31 (3200): wrapper (7.9.26016): starting
01:45:31 (3200): 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
01:45:32 (3200): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:45:32 (3200): 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
02:49:24 (3200): C:/Windows/system32/cmd.exe exited; CPU time 3746.562500
02:49:24 (3200): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 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: 59176684 bytes.
Dumping objects ->
{3835272} normal block at 0x0000021D10EF1AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000021D10EF1B80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x0000021D10EF18E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x0000021D10EF1A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000021D10EF1E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x0000021D12AEC100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000021D12B893A0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835183} normal block at 0x0000021D10EE82E0, 8 bytes long.
 Data: <  &#197;     > 00 00 C5 12 1D 02 00 00 
{3834555} normal block at 0x0000021D12B88A40, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000021D10EE7F20, 8 bytes long.
 Data: <&#192;\&#184;     > C0 5C B8 12 1D 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021D10EF0850, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021D10ED5F00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000021D10EF2820, 16 bytes long.
 Data: <&#216;7&#239;             > D8 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021D10EF2A50, 16 bytes long.
 Data: <&#176;7&#239;             > B0 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021D10EEDD80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000021D10EF2870, 16 bytes long.
 Data: < 7&#239;             > 88 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021D10EF2F00, 16 bytes long.
 Data: <`7&#239;             > 60 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021D10EF27D0, 16 bytes long.
 Data: <87&#239;             > 38 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021D10EF2FF0, 16 bytes long.
 Data: < 7&#239;             > 10 37 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021D10EF19C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000021D10EF22D0, 16 bytes long.
 Data: < ^&#237;             > 98 5E ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021D10EED900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000021D10EF2780, 16 bytes long.
 Data: <p^&#237;             > 70 5E ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021D10EF2730, 16 bytes long.
 Data: <H^&#237;             > 48 5E ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021D10EF2140, 16 bytes long.
 Data: < ^&#237;             > 20 5E ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021D10EF24B0, 16 bytes long.
 Data: <&#248;]&#237;             > F8 5D ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021D10EF2190, 16 bytes long.
 Data: <&#208;]&#237;             > D0 5D ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021D10EF2460, 16 bytes long.
 Data: <&#168;]&#237;             > A8 5D ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021D10EEDAE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000021D10EF2500, 16 bytes long.
 Data: < ]&#237;             > 80 5D ED 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021D10ED5D80, 320 bytes long.
 Data: < %&#239;     &#224;&#218;&#238;     > 00 25 EF 10 1D 02 00 00 E0 DA EE 10 1D 02 00 00 
{268} normal block at 0x0000021D10EF26E0, 16 bytes long.
 Data: <&#240;6&#239;             > F0 36 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021D10EF20F0, 16 bytes long.
 Data: <&#200;6&#239;             > C8 36 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021D10EEE080, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000021D10EF2E10, 16 bytes long.
 Data: <&#160;6&#239;             > A0 36 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021D10EEDEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000021D10EF2D20, 16 bytes long.
 Data: <&#232;5&#239;             > E8 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021D10EF2CD0, 16 bytes long.
 Data: <&#192;5&#239;             > C0 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021D10EF2640, 16 bytes long.
 Data: < 5&#239;             > 98 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021D10EF2410, 16 bytes long.
 Data: <p5&#239;             > 70 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021D10EF2230, 16 bytes long.
 Data: <H5&#239;             > 48 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021D10EF2960, 16 bytes long.
 Data: < 5&#239;             > 20 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021D10EF29B0, 16 bytes long.
 Data: <  &#239;             > 10 1B EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021D10EF1B10, 40 bytes long.
 Data: <&#176;)&#239;      &#193;&#174;     > B0 29 EF 10 1D 02 00 00 00 C1 AE 12 1D 02 00 00 
{254} normal block at 0x0000021D10EF2280, 16 bytes long.
 Data: < 5&#239;             > 00 35 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021D10EF23C0, 16 bytes long.
 Data: <&#216;4&#239;             > D8 34 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021D10EEDF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000021D10EF25A0, 16 bytes long.
 Data: <&#176;4&#239;             > B0 34 EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021D10EF34B0, 992 bytes long.
 Data: <&#160;%&#239;     `&#223;&#238;     > A0 25 EF 10 1D 02 00 00 60 DF EE 10 1D 02 00 00 
{86} normal block at 0x0000021D10EEE0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000021D10EE77A0, 16 bytes long.
 Data: <&#240; &#239;             > F0 1B EF 10 1D 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021D10EF1BF0, 40 bytes long.
 Data: <&#160;w&#238;     &#224;&#224;&#238;     > A0 77 EE 10 1D 02 00 00 E0 E0 EE 10 1D 02 00 00 
{63} normal block at 0x0000021D10EE81A0, 16 bytes long.
 Data: < &#234;%&#227;&#247;           > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021D10EE75C0, 16 bytes long.
 Data: <@&#233;%&#227;&#247;           > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021D10EE7BB0, 16 bytes long.
 Data: <&#248;W"&#227;&#247;           > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021D10EE7750, 16 bytes long.
 Data: <&#216;W"&#227;&#247;           > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021D10EE7980, 16 bytes long.
 Data: <P "&#227;&#247;           > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021D10EE8240, 16 bytes long.
 Data: <0 "&#227;&#247;           > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021D10EE77F0, 16 bytes long.
 Data: <&#224; "&#227;&#247;           > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021D10EE7E80, 16 bytes long.
 Data: <  "&#227;&#247;           > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021D10EE7E30, 16 bytes long.
 Data: <p "&#227;&#247;           > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021D10EE8150, 16 bytes long.
 Data: < &#192; &#227;&#247;           > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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