Task 38687877

Name test_263-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3083_0
Workunit 31629248
Created 28 Oct 2026, 10:18:28 UTC
Sent 28 Oct 2026, 10:18:31 UTC
Report deadline 2 Nov 2026, 10:18:31 UTC
Received 28 Oct 2026, 11:12:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 6 sec
CPU time 51 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 883.35 MB
Peak swap size 6.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:20:09 (10800): wrapper (7.9.26016): starting
11:20:09 (10800): 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
11:20:11 (10800): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:20:11 (10800): 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:\ProgramData\BOINC\slots\8\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:\ProgramData\BOINC\slots\8\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
12:12:03 (10800): C:/Windows/system32/cmd.exe exited; CPU time 3067.187500
12:12:03 (10800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46376937 bytes.
Dumping objects ->
{3835551} normal block at 0x000002684DA4F930, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000002684BE64880, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x000002684BE64810, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x000002684BE647A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x000002684BE64E30, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x000002684DAC64F0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000002684DADE660, 102 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) : {3835462} normal block at 0x000002684BE5EBD0, 8 bytes long.
 Data: <   Lh   > 00 00 20 4C 68 02 00 00 
{3834687} normal block at 0x000002684DADF160, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002684BE5E900, 8 bytes long.
 Data: <0C&#178;Mh   > 30 43 B2 4D 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002684BE61280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002684BE568E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002684BE65CE0, 16 bytes long.
 Data: <Hh&#230;Kh           > 48 68 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002684BE65E70, 16 bytes long.
 Data: < h&#230;Kh           > 20 68 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002684BE60410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002684BE65880, 16 bytes long.
 Data: <&#248;g&#230;Kh           > F8 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002684BE65830, 16 bytes long.
 Data: <&#208;g&#230;Kh           > D0 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002684BE657E0, 16 bytes long.
 Data: <&#168;g&#230;Kh           > A8 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002684BE65790, 16 bytes long.
 Data: < g&#230;Kh           > 80 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002684BE649D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002684BE65740, 16 bytes long.
 Data: < &#181;&#228;Kh           > 88 B5 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002684BE603B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002684BE65C90, 16 bytes long.
 Data: <`&#181;&#228;Kh           > 60 B5 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002684BE656A0, 16 bytes long.
 Data: <8&#181;&#228;Kh           > 38 B5 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002684BE655B0, 16 bytes long.
 Data: < &#181;&#228;Kh           > 10 B5 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002684BE65C40, 16 bytes long.
 Data: <&#232;&#180;&#228;Kh           > E8 B4 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002684BE66230, 16 bytes long.
 Data: <&#192;&#180;&#228;Kh           > C0 B4 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002684BE65560, 16 bytes long.
 Data: < &#180;&#228;Kh           > 98 B4 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002684BE60290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002684BE65AB0, 16 bytes long.
 Data: <p&#180;&#228;Kh           > 70 B4 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002684BE4B470, 320 bytes long.
 Data: <&#176;Z&#230;Kh     &#230;Kh   > B0 5A E6 4B 68 02 00 00 90 02 E6 4B 68 02 00 00 
{278} normal block at 0x000002684BE664B0, 16 bytes long.
 Data: <`g&#230;Kh           > 60 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002684BE65BA0, 16 bytes long.
 Data: <8g&#230;Kh           > 38 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002684BE600B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002684BE65650, 16 bytes long.
 Data: < g&#230;Kh           > 10 67 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002684BE60230, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002684BE65600, 16 bytes long.
 Data: <Xf&#230;Kh           > 58 66 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002684BE65B50, 16 bytes long.
 Data: <0f&#230;Kh           > 30 66 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002684BE66460, 16 bytes long.
 Data: < f&#230;Kh           > 08 66 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002684BE65D30, 16 bytes long.
 Data: <&#224;e&#230;Kh           > E0 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002684BE659C0, 16 bytes long.
 Data: <&#184;e&#230;Kh           > B8 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002684BE65FB0, 16 bytes long.
 Data: < e&#230;Kh           > 90 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002684BE656F0, 16 bytes long.
 Data: <&#160;N&#230;Kh           > A0 4E E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002684BE64EA0, 40 bytes long.
 Data: <&#240;V&#230;Kh   &#240;d&#172;Mh   > F0 56 E6 4B 68 02 00 00 F0 64 AC 4D 68 02 00 00 
{264} normal block at 0x000002684BE65B00, 16 bytes long.
 Data: <pe&#230;Kh           > 70 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002684BE66410, 16 bytes long.
 Data: <He&#230;Kh           > 48 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002684BE5FA50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002684BE663C0, 16 bytes long.
 Data: < e&#230;Kh           > 20 65 E6 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002684BE66520, 992 bytes long.
 Data: <&#192;c&#230;Kh   P&#250;&#229;Kh   > C0 63 E6 4B 68 02 00 00 50 FA E5 4B 68 02 00 00 
{96} normal block at 0x000002684BE5FCF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002684BE5EE50, 16 bytes long.
 Data: <P&#229;&#228;Kh           > 50 E5 E4 4B 68 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002684BE4E550, 40 bytes long.
 Data: <P&#238;&#229;Kh   &#240;&#252;&#229;Kh   > 50 EE E5 4B 68 02 00 00 F0 FC E5 4B 68 02 00 00 
{73} normal block at 0x000002684BE5E8B0, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002684BE5EEA0, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002684BE5E9F0, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002684BE5EF40, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002684BE5F490, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002684BE5EC70, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002684BE5ECC0, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002684BE5EFE0, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002684BE5ED60, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002684BE5F3A0, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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