Task 38675105

Name test_162-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7483_0
Workunit 31617103
Created 26 Oct 2026, 7:16:19 UTC
Sent 26 Oct 2026, 7:16:25 UTC
Report deadline 31 Oct 2026, 7:16:25 UTC
Received 26 Oct 2026, 9:16:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 59 min 20 sec
CPU time 52 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.75 MB
Peak swap size 18.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:18:46 (17840): wrapper (7.9.26016): starting
10:18:46 (17840): 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
10:18:48 (17840): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:18:48 (17840): 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\47\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\47\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
11:16:15 (17840): C:/Windows/system32/cmd.exe exited; CPU time 3129.421875
11:16:15 (17840): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 63350925 bytes.
Dumping objects ->
{3835247} normal block at 0x00000204380A6EA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000204380A6AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x00000204380A6A40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x00000204380A6420, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000204380A6F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000020439E62AE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000020439EC31C0, 180 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) : {3835157} normal block at 0x00000204380771F0, 8 bytes long.
 Data: <  &#249;7    > 00 00 F9 37 04 02 00 00 
{3834550} normal block at 0x0000020439EC3EE0, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000020438076FC0, 8 bytes long.
 Data: <&#128;~&#231;9    > 80 7E E7 39 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002043807CC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002043806AFB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000204380821D0, 16 bytes long.
 Data: <&#184;? 8            > B8 3F 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020438081BE0, 16 bytes long.
 Data: <&#144;? 8            > 90 3F 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002043807D080, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000020438082130, 16 bytes long.
 Data: <h? 8            > 68 3F 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020438081AF0, 16 bytes long.
 Data: <@? 8            > 40 3F 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020438081FF0, 16 bytes long.
 Data: < ? 8            > 18 3F 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020438081B40, 16 bytes long.
 Data: <&#240;> 8            > F0 3E 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002043807BDD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000020438081DC0, 16 bytes long.
 Data: <H&#188; 8            > 48 BC 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002043807DB00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000020438082770, 16 bytes long.
 Data: < &#188; 8            > 20 BC 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000204380827C0, 16 bytes long.
 Data: <&#248;&#187; 8            > F8 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020438082090, 16 bytes long.
 Data: <&#208;&#187; 8            > D0 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020438081FA0, 16 bytes long.
 Data: <&#168;&#187; 8            > A8 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020438081D70, 16 bytes long.
 Data: <&#128;&#187; 8            > 80 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020438081AA0, 16 bytes long.
 Data: <X&#187; 8            > 58 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002043807DAA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000020438082720, 16 bytes long.
 Data: <0&#187; 8            > 30 BB 06 38 04 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002043806BB30, 320 bytes long.
 Data: < ' 8    &#160;&#218; 8    > 20 27 08 38 04 02 00 00 A0 DA 07 38 04 02 00 00 
{269} normal block at 0x00000204380820E0, 16 bytes long.
 Data: <&#208;> 8            > D0 3E 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020438082180, 16 bytes long.
 Data: <&#168;> 8            > A8 3E 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002043807CEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000020438081C30, 16 bytes long.
 Data: <&#128;> 8            > 80 3E 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002043807CFC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000020438082360, 16 bytes long.
 Data: <&#200;= 8            > C8 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020438081F50, 16 bytes long.
 Data: <&#160;= 8            > A0 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020438082590, 16 bytes long.
 Data: <x= 8            > 78 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020438081A50, 16 bytes long.
 Data: <P= 8            > 50 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020438081F00, 16 bytes long.
 Data: <(= 8            > 28 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020438081E60, 16 bytes long.
 Data: < = 8            > 00 3D 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020438081C80, 16 bytes long.
 Data: <&#224;&#192; 8            > E0 C0 07 38 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002043807C0E0, 40 bytes long.
 Data: <&#128;  8    &#224;*&#230;9    > 80 1C 08 38 04 02 00 00 E0 2A E6 39 04 02 00 00 
{255} normal block at 0x0000020438082040, 16 bytes long.
 Data: <&#224;< 8            > E0 3C 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020438082310, 16 bytes long.
 Data: <&#184;< 8            > B8 3C 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002043807D2C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000204380826D0, 16 bytes long.
 Data: <&#144;< 8            > 90 3C 08 38 04 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020438083C90, 992 bytes long.
 Data: <&#208;& 8    &#192;&#210; 8    > D0 26 08 38 04 02 00 00 C0 D2 07 38 04 02 00 00 
{87} normal block at 0x000002043807D020, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000020438076ED0, 16 bytes long.
 Data: < &#192; 8            > 00 C0 07 38 04 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002043807C000, 40 bytes long.
 Data: <&#208;n 8     &#208; 8    > D0 6E 07 38 04 02 00 00 20 D0 07 38 04 02 00 00 
{64} normal block at 0x0000020438077060, 16 bytes long.
 Data: <&#128;&#234;&#239;'&#246;           > 80 EA EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020438076E30, 16 bytes long.
 Data: <@&#233;&#239;'&#246;           > 40 E9 EF 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020438077790, 16 bytes long.
 Data: <&#248;W&#236;'&#246;           > F8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020438077420, 16 bytes long.
 Data: <&#216;W&#236;'&#246;           > D8 57 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000204380779C0, 16 bytes long.
 Data: <P &#236;'&#246;           > 50 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020438076E80, 16 bytes long.
 Data: <0 &#236;'&#246;           > 30 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020438077380, 16 bytes long.
 Data: <&#224; &#236;'&#246;           > E0 02 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020438077290, 16 bytes long.
 Data: <  &#236;'&#246;           > 10 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020438077600, 16 bytes long.
 Data: <p &#236;'&#246;           > 70 04 EC 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000020438077150, 16 bytes long.
 Data: < &#192;&#234;'&#246;           > 18 C0 EA 27 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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