Task 38663631

Name test_166-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4596_0
Workunit 31606828
Created 24 Oct 2026, 22:23:50 UTC
Sent 24 Oct 2026, 22:23:58 UTC
Report deadline 29 Oct 2026, 22:23:58 UTC
Received 24 Oct 2026, 23:38:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626877
Run time 23 min 39 sec
CPU time 21 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,915.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.04 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
19:13:14 (34408): wrapper (7.9.26016): starting
19:13:14 (34408): 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
19:13:15 (34408): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:13:15 (34408): 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\10\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\10\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
19:36:31 (34408): C:/Windows/system32/cmd.exe exited; CPU time 1300.375000
19:36:31 (34408): 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: 29012207 bytes.
Dumping objects ->
{3835213} normal block at 0x0000016F88605530, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x0000016F886050D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000016F88605B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835180} normal block at 0x0000016F886053E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835169} normal block at 0x0000016F88605220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835138} normal block at 0x0000016F8852C680, 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) : {3835125} normal block at 0x0000016F86A0D730, 8 bytes long.
 Data: <  &#237;&#134;o   > 00 00 ED 86 6F 01 00 00 
{3833963} normal block at 0x0000016F86A0D4B0, 8 bytes long.
 Data: < &#228;&#236;&#134;o   > 80 E4 EC 86 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000016F86A10DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016F86A06900, 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 0x0000016F86A16570, 16 bytes long.
 Data: <Xi&#161;&#134;o           > 58 69 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000016F86A15A80, 16 bytes long.
 Data: <0i&#161;&#134;o           > 30 69 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016F86A0F1C0, 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 0x0000016F86A16160, 16 bytes long.
 Data: < i&#161;&#134;o           > 08 69 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016F86A15710, 16 bytes long.
 Data: <&#224;h&#161;&#134;o           > E0 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016F86A16520, 16 bytes long.
 Data: <&#184;h&#161;&#134;o           > B8 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016F86A164D0, 16 bytes long.
 Data: < h&#161;&#134;o           > 90 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016F86A14120, 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 0x0000016F86A159E0, 16 bytes long.
 Data: < &#182;&#159;&#134;o           > 18 B6 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016F86A0F460, 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 0x0000016F86A16480, 16 bytes long.
 Data: <&#240;&#181;&#159;&#134;o           > F0 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016F86A16020, 16 bytes long.
 Data: <&#200;&#181;&#159;&#134;o           > C8 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016F86A16430, 16 bytes long.
 Data: <&#160;&#181;&#159;&#134;o           > A0 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016F86A163E0, 16 bytes long.
 Data: <x&#181;&#159;&#134;o           > 78 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016F86A157B0, 16 bytes long.
 Data: <P&#181;&#159;&#134;o           > 50 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016F86A15FD0, 16 bytes long.
 Data: <(&#181;&#159;&#134;o           > 28 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016F86A0F3A0, 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 0x0000016F86A15C60, 16 bytes long.
 Data: < &#181;&#159;&#134;o           > 00 B5 9F 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016F869FB500, 320 bytes long.
 Data: <`\&#161;&#134;o   &#160;&#243;&#160;&#134;o   > 60 5C A1 86 6F 01 00 00 A0 F3 A0 86 6F 01 00 00 
{277} normal block at 0x0000016F86A16200, 16 bytes long.
 Data: <ph&#161;&#134;o           > 70 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016F86A15D50, 16 bytes long.
 Data: <Hh&#161;&#134;o           > 48 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016F86A0F160, 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 0x0000016F86A16110, 16 bytes long.
 Data: < h&#161;&#134;o           > 20 68 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016F86A0E9E0, 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 0x0000016F86A15B20, 16 bytes long.
 Data: <hg&#161;&#134;o           > 68 67 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016F86A15A30, 16 bytes long.
 Data: <@g&#161;&#134;o           > 40 67 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016F86A16390, 16 bytes long.
 Data: < g&#161;&#134;o           > 18 67 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016F86A15D00, 16 bytes long.
 Data: <&#240;f&#161;&#134;o           > F0 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016F86A15B70, 16 bytes long.
 Data: <&#200;f&#161;&#134;o           > C8 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016F86A15F80, 16 bytes long.
 Data: <&#160;f&#161;&#134;o           > A0 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016F86A161B0, 16 bytes long.
 Data: < >&#161;&#134;o           > 10 3E A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016F86A13E10, 40 bytes long.
 Data: <&#176;a&#161;&#134;o    &#198;R o   > B0 61 A1 86 6F 01 00 00 80 C6 52 88 6F 01 00 00 
{263} normal block at 0x0000016F86A16250, 16 bytes long.
 Data: < f&#161;&#134;o           > 80 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016F86A162A0, 16 bytes long.
 Data: <Xf&#161;&#134;o           > 58 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016F86A0F280, 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 0x0000016F86A16340, 16 bytes long.
 Data: <0f&#161;&#134;o           > 30 66 A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016F86A16630, 992 bytes long.
 Data: <@c&#161;&#134;o    &#242;&#160;&#134;o   > 40 63 A1 86 6F 01 00 00 80 F2 A0 86 6F 01 00 00 
{95} normal block at 0x0000016F86A0F8E0, 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 0x0000016F86A0D7D0, 16 bytes long.
 Data: <P<&#161;&#134;o           > 50 3C A1 86 6F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000016F86A13C50, 40 bytes long.
 Data: <&#208;&#215;&#160;&#134;o   &#224;&#248;&#160;&#134;o   > D0 D7 A0 86 6F 01 00 00 E0 F8 A0 86 6F 01 00 00 
{72} normal block at 0x0000016F86A0DDC0, 16 bytes long.
 Data: < &#234; |&#247;           > 80 EA 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016F86A0D820, 16 bytes long.
 Data: <@&#233; |&#247;           > 40 E9 1E 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016F86A0D6E0, 16 bytes long.
 Data: <&#248;W |&#247;           > F8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016F86A0DAA0, 16 bytes long.
 Data: <&#216;W |&#247;           > D8 57 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016F86A0DE60, 16 bytes long.
 Data: <P  |&#247;           > 50 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016F86A0DD70, 16 bytes long.
 Data: <0  |&#247;           > 30 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016F86A0D8C0, 16 bytes long.
 Data: <&#224;  |&#247;           > E0 02 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016F86A0D3C0, 16 bytes long.
 Data: <   |&#247;           > 10 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016F86A0D5A0, 16 bytes long.
 Data: <p  |&#247;           > 70 04 1B 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016F86A0DE10, 16 bytes long.
 Data: < &#192; |&#247;           > 18 C0 19 7C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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