Task 38663442

Name test_849-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0613_0
Workunit 31606649
Created 24 Oct 2026, 22:00:02 UTC
Sent 24 Oct 2026, 22:00:02 UTC
Report deadline 29 Oct 2026, 22:00:02 UTC
Received 24 Oct 2026, 22:36:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638382
Run time 33 min 21 sec
CPU time 31 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,380.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.16 MB
Peak swap size 5.23 GB
Peak disk usage 4.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:03:59 (7564): wrapper (7.9.26016): starting
17:03:59 (7564): 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
17:04:01 (7564): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:04:01 (7564): 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\11\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\11\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
17:36:05 (7564): C:/Windows/system32/cmd.exe exited; CPU time 1898.406250
17:36:05 (7564): 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: 27242245 bytes.
Dumping objects ->
{3835236} normal block at 0x0000023A3DC48F20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000023A3DC49620, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000023A3DC49000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000023A3DC494D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000023A3DC49460, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000023A3F8CDC20, 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) : {3835148} normal block at 0x0000023A3DC3FA20, 8 bytes long.
 Data: <  &#192;=:   > 00 00 C0 3D 3A 02 00 00 
{3833953} normal block at 0x0000023A3DC40600, 8 bytes long.
 Data: <&#176;&#230;&#198;=:   > B0 E6 C6 3D 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000023A3DC3C8A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023A3DC351A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000023A3DC4A090, 16 bytes long.
 Data: <H&#172;&#196;=:           > 48 AC C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023A3DC49B40, 16 bytes long.
 Data: < &#172;&#196;=:           > 20 AC C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023A3DC45570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000023A3DC49F50, 16 bytes long.
 Data: <&#248;&#171;&#196;=:           > F8 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023A3DC49EB0, 16 bytes long.
 Data: <&#208;&#171;&#196;=:           > D0 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023A3DC4A450, 16 bytes long.
 Data: <&#168;&#171;&#196;=:           > A8 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023A3DC4A040, 16 bytes long.
 Data: < &#171;&#196;=:           > 80 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023A3DC491C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000023A3DC49DC0, 16 bytes long.
 Data: <&#248; &#195;=:           > F8 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023A3DC454B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000023A3DC4A400, 16 bytes long.
 Data: <&#208; &#195;=:           > D0 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023A3DC4A3B0, 16 bytes long.
 Data: <&#168; &#195;=:           > A8 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023A3DC4A0E0, 16 bytes long.
 Data: <  &#195;=:           > 80 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023A3DC49FA0, 16 bytes long.
 Data: <X &#195;=:           > 58 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023A3DC499B0, 16 bytes long.
 Data: <0 &#195;=:           > 30 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023A3DC4A360, 16 bytes long.
 Data: <  &#195;=:           > 08 18 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023A3DC45B10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000023A3DC49D70, 16 bytes long.
 Data: <&#224; &#195;=:           > E0 17 C3 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023A3DC317E0, 320 bytes long.
 Data: <p &#196;=:    [&#196;=:   > 70 9D C4 3D 3A 02 00 00 10 5B C4 3D 3A 02 00 00 
{272} normal block at 0x0000023A3DC49960, 16 bytes long.
 Data: <`&#171;&#196;=:           > 60 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023A3DC4A1D0, 16 bytes long.
 Data: <8&#171;&#196;=:           > 38 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023A3DC453F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000023A3DC4A220, 16 bytes long.
 Data: < &#171;&#196;=:           > 10 AB C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023A3DC44FD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000023A3DC49AF0, 16 bytes long.
 Data: <X&#170;&#196;=:           > 58 AA C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023A3DC49C80, 16 bytes long.
 Data: <0&#170;&#196;=:           > 30 AA C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023A3DC49E60, 16 bytes long.
 Data: < &#170;&#196;=:           > 08 AA C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023A3DC4A630, 16 bytes long.
 Data: <&#224;&#169;&#196;=:           > E0 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023A3DC49FF0, 16 bytes long.
 Data: <&#184;&#169;&#196;=:           > B8 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023A3DC4A270, 16 bytes long.
 Data: < &#169;&#196;=:           > 90 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023A3DC49E10, 16 bytes long.
 Data: <&#224; &#196;=:           > E0 90 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023A3DC490E0, 40 bytes long.
 Data: < &#158;&#196;=:    &#220;&#140;?:   > 10 9E C4 3D 3A 02 00 00 20 DC 8C 3F 3A 02 00 00 
{258} normal block at 0x0000023A3DC49A00, 16 bytes long.
 Data: <p&#169;&#196;=:           > 70 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023A3DC4A2C0, 16 bytes long.
 Data: <H&#169;&#196;=:           > 48 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023A3DC450F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000023A3DC4A5E0, 16 bytes long.
 Data: < &#169;&#196;=:           > 20 A9 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023A3DC4A920, 992 bytes long.
 Data: <&#224;&#165;&#196;=:   &#240;P&#196;=:   > E0 A5 C4 3D 3A 02 00 00 F0 50 C4 3D 3A 02 00 00 
{90} normal block at 0x0000023A3DC44F70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000023A3DC3F8E0, 16 bytes long.
 Data: <p &#196;=:           > 70 90 C4 3D 3A 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000023A3DC49070, 40 bytes long.
 Data: <&#224;&#248;&#195;=:   pO&#196;=:   > E0 F8 C3 3D 3A 02 00 00 70 4F C4 3D 3A 02 00 00 
{67} normal block at 0x0000023A3DC3FED0, 16 bytes long.
 Data: < &#234;&#221; &#247;           > 80 EA DD 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023A3DC40010, 16 bytes long.
 Data: <@&#233;&#221; &#247;           > 40 E9 DD 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023A3DC3FE80, 16 bytes long.
 Data: <&#248;W&#218; &#247;           > F8 57 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023A3DC3F9D0, 16 bytes long.
 Data: <&#216;W&#218; &#247;           > D8 57 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023A3DC3FD90, 16 bytes long.
 Data: <P &#218; &#247;           > 50 04 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023A3DC3F980, 16 bytes long.
 Data: <0 &#218; &#247;           > 30 04 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023A3DC3FB60, 16 bytes long.
 Data: <&#224; &#218; &#247;           > E0 02 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023A3DC405B0, 16 bytes long.
 Data: <  &#218; &#247;           > 10 04 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023A3DC40290, 16 bytes long.
 Data: <p &#218; &#247;           > 70 04 DA 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023A3DC3FCF0, 16 bytes long.
 Data: < &#192;&#216; &#247;           > 18 C0 D8 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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