Task 38699958

Name test_302-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND8270_0
Workunit 31640301
Created 6 Nov 2026, 9:57:07 UTC
Sent 6 Nov 2026, 9:57:12 UTC
Report deadline 11 Nov 2026, 9:57:12 UTC
Received 6 Nov 2026, 16:32:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 611392
Run time 1 hours 38 min 25 sec
CPU time 1 hours 28 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,878.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.50 MB
Peak swap size 2.30 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:55:42 (2400): wrapper (7.9.26016): starting
15:55:42 (2400): 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
15:55:45 (2400): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:55:45 (2400): 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
17:31:49 (2400): C:/Windows/system32/cmd.exe exited; CPU time 5304.828125
17:31:49 (2400): 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: 70444317 bytes.
Dumping objects ->
{3835193} normal block at 0x0000018942D0B270, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000018942D0BF90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x0000018942D0B7B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x000001894120D840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x000001894120D8B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x0000018942D53D60, 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) : {3835105} normal block at 0x0000018941207350, 8 bytes long.
 Data: <   B&#137;   > 00 00 BD 42 89 01 00 00 
{3833963} normal block at 0x00000189412068B0, 8 bytes long.
 Data: <&#160;&#204;&#214;B&#137;   > A0 CC D6 42 89 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000018941211710, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000189412146D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000018941212C00, 16 bytes long.
 Data: <8>!A&#137;           > 38 3E 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018941212BB0, 16 bytes long.
 Data: < >!A&#137;           > 10 3E 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001894120C1A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000018941212B60, 16 bytes long.
 Data: <&#232;=!A&#137;           > E8 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018941213100, 16 bytes long.
 Data: <&#192;=!A&#137;           > C0 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018941212B10, 16 bytes long.
 Data: < =!A&#137;           > 98 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018941212CF0, 16 bytes long.
 Data: <p=!A&#137;           > 70 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001894120D4C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000018941212C50, 16 bytes long.
 Data: <&#232;%!A&#137;           > E8 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001894120C560, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000189412131A0, 16 bytes long.
 Data: <&#192;%!A&#137;           > C0 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000189412130B0, 16 bytes long.
 Data: < %!A&#137;           > 98 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018941212A20, 16 bytes long.
 Data: <p%!A&#137;           > 70 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000189412129D0, 16 bytes long.
 Data: <H%!A&#137;           > 48 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000189412128E0, 16 bytes long.
 Data: < %!A&#137;           > 20 25 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018941213240, 16 bytes long.
 Data: <&#248;$!A&#137;           > F8 24 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001894120B720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000018941212E80, 16 bytes long.
 Data: <&#208;$!A&#137;           > D0 24 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000189412124D0, 320 bytes long.
 Data: < .!A&#137;    &#183; A&#137;   > 80 2E 21 41 89 01 00 00 20 B7 20 41 89 01 00 00 
{277} normal block at 0x0000018941212890, 16 bytes long.
 Data: <P=!A&#137;           > 50 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018941212980, 16 bytes long.
 Data: <(=!A&#137;           > 28 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001894120BA20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000018941212F20, 16 bytes long.
 Data: < =!A&#137;           > 00 3D 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001894120B9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000018941212840, 16 bytes long.
 Data: <H<!A&#137;           > 48 3C 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018941213150, 16 bytes long.
 Data: < <!A&#137;           > 20 3C 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000189412136A0, 16 bytes long.
 Data: <&#248;;!A&#137;           > F8 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018941213650, 16 bytes long.
 Data: <&#208;;!A&#137;           > D0 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018941212930, 16 bytes long.
 Data: <&#168;;!A&#137;           > A8 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018941213510, 16 bytes long.
 Data: < ;!A&#137;           > 80 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018941213600, 16 bytes long.
 Data: <P&#212; A&#137;           > 50 D4 20 41 89 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001894120D450, 40 bytes long.
 Data: < 6!A&#137;   `=&#213;B&#137;   > 00 36 21 41 89 01 00 00 60 3D D5 42 89 01 00 00 
{263} normal block at 0x00000189412127F0, 16 bytes long.
 Data: <`;!A&#137;           > 60 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018941213420, 16 bytes long.
 Data: <8;!A&#137;           > 38 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001894120BBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000189412133D0, 16 bytes long.
 Data: < ;!A&#137;           > 10 3B 21 41 89 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018941213B10, 992 bytes long.
 Data: <&#208;3!A&#137;   &#160;&#187; A&#137;   > D0 33 21 41 89 01 00 00 A0 BB 20 41 89 01 00 00 
{95} normal block at 0x000001894120C320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000018941206950, 16 bytes long.
 Data: <&#224;&#211; A&#137;           > E0 D3 20 41 89 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001894120D3E0, 40 bytes long.
 Data: <Pi A&#137;    &#195; A&#137;   > 50 69 20 41 89 01 00 00 20 C3 20 41 89 01 00 00 
{72} normal block at 0x0000018941206B30, 16 bytes long.
 Data: < &#234;&#193;&#133;&#246;           > 80 EA C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018941207170, 16 bytes long.
 Data: <@&#233;&#193;&#133;&#246;           > 40 E9 C1 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018941206F40, 16 bytes long.
 Data: <&#248;W&#190;&#133;&#246;           > F8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018941206BD0, 16 bytes long.
 Data: <&#216;W&#190;&#133;&#246;           > D8 57 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018941207760, 16 bytes long.
 Data: <P &#190;&#133;&#246;           > 50 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018941207120, 16 bytes long.
 Data: <0 &#190;&#133;&#246;           > 30 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000189412072B0, 16 bytes long.
 Data: <&#224; &#190;&#133;&#246;           > E0 02 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018941206EA0, 16 bytes long.
 Data: <  &#190;&#133;&#246;           > 10 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018941207710, 16 bytes long.
 Data: <p &#190;&#133;&#246;           > 70 04 BE 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018941207260, 16 bytes long.
 Data: < &#192;&#188;&#133;&#246;           > 18 C0 BC 85 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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