Task 38680986

Name test_249-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND4071_2
Workunit 31621867
Created 27 Oct 2026, 2:12:10 UTC
Sent 27 Oct 2026, 2:12:14 UTC
Report deadline 1 Nov 2026, 2:12:14 UTC
Received 27 Oct 2026, 2:50:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 29 sec
CPU time 36 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.33 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:13:23 (14540): wrapper (7.9.26016): starting
03:13:23 (14540): 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
03:13:24 (14540): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:13:24 (14540): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
03:49:55 (14540): C:/Windows/system32/cmd.exe exited; CPU time 2218.515625
03:49:55 (14540): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 26379697 bytes.
Dumping objects ->
{3835238} normal block at 0x00000214A13C19F0, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000214A13C16E0, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000214A13C0D40, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000214A13C1520, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000214A13C0BF0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000214A146F2F0, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x000002149F7CC610, 160 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) : {3835149} normal block at 0x000002149F7D7D20, 8 bytes long.
 Data: <  z&#159;    > 00 00 7A 9F 14 02 00 00 
{3834546} normal block at 0x000002149F7CCC30, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002149F7D8860, 8 bytes long.
 Data: <&#176;[Q&#161;    > B0 5B 51 A1 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002149F7E4D80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002149F7E5CC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002149F7E6D10, 16 bytes long.
 Data: <&#168;p~&#159;            > A8 70 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002149F7E6400, 16 bytes long.
 Data: < p~&#159;            > 80 70 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002149F7DD0D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002149F7E6CC0, 16 bytes long.
 Data: <Xp~&#159;            > 58 70 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002149F7E6BD0, 16 bytes long.
 Data: <0p~&#159;            > 30 70 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002149F7E5FF0, 16 bytes long.
 Data: < p~&#159;            > 08 70 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002149F7E6B80, 16 bytes long.
 Data: <&#224;o~&#159;            > E0 6F 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002149F7DE890, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002149F7E6AE0, 16 bytes long.
 Data: <X\~&#159;            > 58 5C 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002149F7DD610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002149F7E6A90, 16 bytes long.
 Data: <0\~&#159;            > 30 5C 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002149F7E6720, 16 bytes long.
 Data: < \~&#159;            > 08 5C 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002149F7E6A40, 16 bytes long.
 Data: <&#224;[~&#159;            > E0 5B 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002149F7E69F0, 16 bytes long.
 Data: <&#184;[~&#159;            > B8 5B 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002149F7E66D0, 16 bytes long.
 Data: < [~&#159;            > 90 5B 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002149F7E6590, 16 bytes long.
 Data: <h[~&#159;            > 68 5B 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002149F7DD250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002149F7E6680, 16 bytes long.
 Data: <@[~&#159;            > 40 5B 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002149F7E5B40, 320 bytes long.
 Data: < f~&#159;    P&#210;}&#159;    > 80 66 7E 9F 14 02 00 00 50 D2 7D 9F 14 02 00 00 
{270} normal block at 0x000002149F7E6950, 16 bytes long.
 Data: <&#192;o~&#159;            > C0 6F 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002149F7E6900, 16 bytes long.
 Data: < o~&#159;            > 98 6F 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002149F7DC950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002149F7E6C20, 16 bytes long.
 Data: <po~&#159;            > 70 6F 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002149F7DCCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002149F7E6310, 16 bytes long.
 Data: <&#184;n~&#159;            > B8 6E 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002149F7E62C0, 16 bytes long.
 Data: < n~&#159;            > 90 6E 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002149F7E68B0, 16 bytes long.
 Data: <hn~&#159;            > 68 6E 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002149F7E6860, 16 bytes long.
 Data: <@n~&#159;            > 40 6E 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002149F7E6270, 16 bytes long.
 Data: < n~&#159;            > 18 6E 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002149F7E6220, 16 bytes long.
 Data: <&#240;m~&#159;            > F0 6D 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002149F7E6810, 16 bytes long.
 Data: < &#233;}&#159;            > 00 E9 7D 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002149F7DE900, 40 bytes long.
 Data: < h~&#159;    &#240;&#242;F&#161;    > 10 68 7E 9F 14 02 00 00 F0 F2 46 A1 14 02 00 00 
{256} normal block at 0x000002149F7E69A0, 16 bytes long.
 Data: <&#208;m~&#159;            > D0 6D 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002149F7E6450, 16 bytes long.
 Data: <&#168;m~&#159;            > A8 6D 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002149F7DCC50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002149F7E61D0, 16 bytes long.
 Data: < m~&#159;            > 80 6D 7E 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002149F7E6D80, 992 bytes long.
 Data: <&#208;a~&#159;    P&#204;}&#159;    > D0 61 7E 9F 14 02 00 00 50 CC 7D 9F 14 02 00 00 
{88} normal block at 0x000002149F7DCD70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002149F7D7E60, 16 bytes long.
 Data: <&#240;&#236;}&#159;            > F0 EC 7D 9F 14 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002149F7DECF0, 40 bytes long.
 Data: <`~}&#159;    p&#205;}&#159;    > 60 7E 7D 9F 14 02 00 00 70 CD 7D 9F 14 02 00 00 
{65} normal block at 0x000002149F7D86D0, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002149F7D7C30, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002149F7D7A50, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002149F7D8090, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002149F7D8630, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002149F7D8680, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002149F7D8720, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002149F7D7B40, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002149F7D7F50, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002149F7D83B0, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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