Task 38695395

Name test_29-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4299_0
Workunit 31636101
Created 31 Oct 2026, 10:05:29 UTC
Sent 31 Oct 2026, 10:05:34 UTC
Report deadline 5 Nov 2026, 10:05:34 UTC
Received 31 Oct 2026, 12:14:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 2 hours 7 min 59 sec
CPU time 2 hours 4 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,614.88 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.58 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:07:51 (36084): wrapper (7.9.26016): starting
19:07:51 (36084): 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
19:07:54 (36084): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:07:54 (36084): 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 'D:\BOINC\data\slots\12\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 'D:\BOINC\data\slots\12\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
21:14:09 (36084): C:/Windows/system32/cmd.exe exited; CPU time 7496.953125
21:14:09 (36084): called boinc_finish(0)
0 bytes in 0 Free Blocks.
446 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: 167883955 bytes.
Dumping objects ->
{3835638} normal block at 0x00000210CAC31020, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835627} normal block at 0x00000210CAD7A390, 32 bytes long.
 Data: <HOME=D:\BOINC\da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835616} normal block at 0x00000210CAD7AE70, 32 bytes long.
 Data: <TMP=D:\BOINC\dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835605} normal block at 0x00000210CAD7A5D0, 32 bytes long.
 Data: <TEMP=D:\BOINC\da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835594} normal block at 0x00000210CAD79AF0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835563} normal block at 0x00000210CAC30A70, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835552} normal block at 0x00000210C8C13A10, 135 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) : {3835549} normal block at 0x00000210C8BBEC20, 8 bytes long.
 Data: <  &#171;&#200;    > 00 00 AB C8 10 02 00 00 
{3834800} normal block at 0x00000210C8C124F0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x00000210C8BBED10, 8 bytes long.
 Data: <&#176;&#192;&#215;&#202;    > B0 C0 D7 CA 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000210C8BBB470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000210C8BB6C20, 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 0x00000210C8BCA9A0, 16 bytes long.
 Data: < &#177;&#188;&#200;            > 98 B1 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000210C8BCAD10, 16 bytes long.
 Data: <p&#177;&#188;&#200;            > 70 B1 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000210C8BC4060, 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 0x00000210C8BCA220, 16 bytes long.
 Data: <H&#177;&#188;&#200;            > 48 B1 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000210C8BCAC20, 16 bytes long.
 Data: < &#177;&#188;&#200;            > 20 B1 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210C8BCA8B0, 16 bytes long.
 Data: < &#176;&#188;&#200;            > F8 B0 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210C8BCABD0, 16 bytes long.
 Data: <&#208;&#176;&#188;&#200;            > D0 B0 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000210C8BC66A0, 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 0x00000210C8BCA860, 16 bytes long.
 Data: <H &#188;&#200;            > 48 9D BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000210C8BC4C00, 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 0x00000210C8BCA090, 16 bytes long.
 Data: <  &#188;&#200;            > 20 9D BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000210C8BC9F50, 16 bytes long.
 Data: <  &#188;&#200;            > F8 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210C8BCA360, 16 bytes long.
 Data: <&#208; &#188;&#200;            > D0 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000210C8BCAB30, 16 bytes long.
 Data: <&#168; &#188;&#200;            > A8 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000210C8BC9F00, 16 bytes long.
 Data: <  &#188;&#200;            > 80 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000210C8BC9EB0, 16 bytes long.
 Data: <X &#188;&#200;            > 58 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000210C8BC4B40, 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 0x00000210C8BCA9F0, 16 bytes long.
 Data: <0 &#188;&#200;            > 30 9C BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000210C8BC9C30, 320 bytes long.
 Data: < &#169;&#188;&#200;    @K&#188;&#200;    > F0 A9 BC C8 10 02 00 00 40 4B BC C8 10 02 00 00 
{279} normal block at 0x00000210C8BCA310, 16 bytes long.
 Data: <&#176;&#176;&#188;&#200;            > B0 B0 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210C8BCA040, 16 bytes long.
 Data: < &#176;&#188;&#200;            > 88 B0 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000210C8BC42A0, 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 0x00000210C8BCADB0, 16 bytes long.
 Data: <`&#176;&#188;&#200;            > 60 B0 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000210C8BC4360, 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 0x00000210C8BCAA40, 16 bytes long.
 Data: <&#168;&#175;&#188;&#200;            > A8 AF BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000210C8BCA3B0, 16 bytes long.
 Data: < &#175;&#188;&#200;            > 80 AF BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000210C8BCA7C0, 16 bytes long.
 Data: <X&#175;&#188;&#200;            > 58 AF BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210C8BCA5E0, 16 bytes long.
 Data: <0&#175;&#188;&#200;            > 30 AF BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000210C8BCAAE0, 16 bytes long.
 Data: < &#175;&#188;&#200;            > 08 AF BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000210C8BC9FF0, 16 bytes long.
 Data: < &#174;&#188;&#200;            > E0 AE BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210C8BCA680, 16 bytes long.
 Data: < g&#188;&#200;            > 10 67 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000210C8BC6710, 40 bytes long.
 Data: < &#166;&#188;&#200;    p &#195;&#202;    > 80 A6 BC C8 10 02 00 00 70 0A C3 CA 10 02 00 00 
{265} normal block at 0x00000210C8BCA270, 16 bytes long.
 Data: <&#192;&#174;&#188;&#200;            > C0 AE BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000210C8BCA900, 16 bytes long.
 Data: < &#174;&#188;&#200;            > 98 AE BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000210C8BC4A20, 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 0x00000210C8BCA400, 16 bytes long.
 Data: <p&#174;&#188;&#200;            > 70 AE BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000210C8BCAE70, 992 bytes long.
 Data: < &#164;&#188;&#200;     J&#188;&#200;    > 00 A4 BC C8 10 02 00 00 20 4A BC C8 10 02 00 00 
{97} normal block at 0x00000210C8BC4C60, 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 0x00000210C8BBF440, 16 bytes long.
 Data: <&#176;b&#188;&#200;            > B0 62 BC C8 10 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000210C8BC62B0, 40 bytes long.
 Data: <@ &#187;&#200;    `L&#188;&#200;    > 40 F4 BB C8 10 02 00 00 60 4C BC C8 10 02 00 00 
{72} normal block at 0x00000210C8BBEE50, 16 bytes long.
 Data: <  c&#170;            > 80 EA 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000210C8BBEF40, 16 bytes long.
 Data: <@ c&#170;            > 40 E9 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000210C8BBEAE0, 16 bytes long.
 Data: < W`&#170;            > F8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000210C8BBF300, 16 bytes long.
 Data: <&#216;W`&#170;            > D8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000210C8BBE860, 16 bytes long.
 Data: <P `&#170;            > 50 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000210C8BBE6D0, 16 bytes long.
 Data: <0 `&#170;            > 30 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000210C8BBEC70, 16 bytes long.
 Data: <  `&#170;            > E0 02 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000210C8BBE9A0, 16 bytes long.
 Data: <  `&#170;            > 10 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000210C8BBF170, 16 bytes long.
 Data: <p `&#170;            > 70 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000210C8BBF2B0, 16 bytes long.
 Data: < &#192;^&#170;            > 18 C0 5E AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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