Task 38675108

Name test_278-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8932_0
Workunit 31617106
Created 26 Oct 2026, 7:16:52 UTC
Sent 26 Oct 2026, 7:17:00 UTC
Report deadline 31 Oct 2026, 7:17:00 UTC
Received 26 Oct 2026, 8:54:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 49 sec
CPU time 46 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,073.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.20 MB
Peak swap size 5.26 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:07:12 (5804): wrapper (7.9.26016): starting
01:07:12 (5804): 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
01:07:17 (5804): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:07:17 (5804): 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 'E:\ProgramData\Boinc\slots\0\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 'E:\ProgramData\Boinc\slots\0\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
01:53:56 (5804): C:/Windows/system32/cmd.exe exited; CPU time 2793.250000
01:53:56 (5804): 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: 32595729 bytes.
Dumping objects ->
{3835223} normal block at 0x0000028EA01EC0A0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000028EA01EC1F0, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000028EA01EC030, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000028EA01EC110, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000028EA01EC3B0, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000028EA1D049A0, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000028EA1D63170, 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) : {3835134} normal block at 0x0000028EA01E7280, 8 bytes long.
 Data: <  &#191;&#161;&#142;   > 00 00 BF A1 8E 02 00 00 
{3834539} normal block at 0x0000028EA1D63250, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000028EA01E6CE0, 8 bytes long.
 Data: <&#224;&#217;&#209;&#161;&#142;   > E0 D9 D1 A1 8E 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000028EA01F2010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028EA01D5DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000028EA01F39B0, 16 bytes long.
 Data: < W &#160;&#142;           > 98 57 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028EA01F3780, 16 bytes long.
 Data: <pW &#160;&#142;           > 70 57 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028EA01ECE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000028EA01F3690, 16 bytes long.
 Data: <HW &#160;&#142;           > 48 57 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028EA01F36E0, 16 bytes long.
 Data: < W &#160;&#142;           > 20 57 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028EA01F32D0, 16 bytes long.
 Data: <&#248;V &#160;&#142;           > F8 56 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028EA01F3500, 16 bytes long.
 Data: <&#208;V &#160;&#142;           > D0 56 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028EA01EC260, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000028EA01F3730, 16 bytes long.
 Data: <H] &#160;&#142;           > 48 5D 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028EA01ED1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000028EA01F3B90, 16 bytes long.
 Data: < ] &#160;&#142;           > 20 5D 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028EA01F3B40, 16 bytes long.
 Data: <&#248;\ &#160;&#142;           > F8 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028EA01F3A50, 16 bytes long.
 Data: <&#208;\ &#160;&#142;           > D0 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028EA01F3910, 16 bytes long.
 Data: <&#168;\ &#160;&#142;           > A8 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028EA01F3870, 16 bytes long.
 Data: < \ &#160;&#142;           > 80 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028EA01F30A0, 16 bytes long.
 Data: <X\ &#160;&#142;           > 58 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028EA01ED8C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000028EA01F3230, 16 bytes long.
 Data: <0\ &#160;&#142;           > 30 5C 1D A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028EA01D5C30, 320 bytes long.
 Data: <02 &#160;&#142;   &#192;&#216; &#160;&#142;   > 30 32 1F A0 8E 02 00 00 C0 D8 1E A0 8E 02 00 00 
{272} normal block at 0x0000028EA01F3640, 16 bytes long.
 Data: <&#176;V &#160;&#142;           > B0 56 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028EA01F3F50, 16 bytes long.
 Data: < V &#160;&#142;           > 88 56 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028EA01ED200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000028EA01F3960, 16 bytes long.
 Data: <`V &#160;&#142;           > 60 56 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028EA01ED140, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000028EA01F3DC0, 16 bytes long.
 Data: <&#168;U &#160;&#142;           > A8 55 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028EA01F3370, 16 bytes long.
 Data: < U &#160;&#142;           > 80 55 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028EA01F34B0, 16 bytes long.
 Data: <XU &#160;&#142;           > 58 55 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028EA01F3D70, 16 bytes long.
 Data: <0U &#160;&#142;           > 30 55 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028EA01F3AF0, 16 bytes long.
 Data: < U &#160;&#142;           > 08 55 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028EA01F31E0, 16 bytes long.
 Data: <&#224;T &#160;&#142;           > E0 54 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028EA01F3FF0, 16 bytes long.
 Data: < &#196; &#160;&#142;           > 90 C4 1E A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028EA01EC490, 40 bytes long.
 Data: <&#240;? &#160;&#142;   &#160;I&#208;&#161;&#142;   > F0 3F 1F A0 8E 02 00 00 A0 49 D0 A1 8E 02 00 00 
{258} normal block at 0x0000028EA01F3AA0, 16 bytes long.
 Data: <&#192;T &#160;&#142;           > C0 54 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028EA01F3FA0, 16 bytes long.
 Data: < T &#160;&#142;           > 98 54 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028EA01ECCC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000028EA01F3190, 16 bytes long.
 Data: <pT &#160;&#142;           > 70 54 1F A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028EA01F5470, 992 bytes long.
 Data: < 1 &#160;&#142;   &#192;&#204; &#160;&#142;   > 90 31 1F A0 8E 02 00 00 C0 CC 1E A0 8E 02 00 00 
{90} normal block at 0x0000028EA01ECC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000028EA01E7230, 16 bytes long.
 Data: <P&#191; &#160;&#142;           > 50 BF 1E A0 8E 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000028EA01EBF50, 40 bytes long.
 Data: <0r &#160;&#142;    &#204; &#160;&#142;   > 30 72 1E A0 8E 02 00 00 00 CC 1E A0 8E 02 00 00 
{67} normal block at 0x0000028EA01E6A60, 16 bytes long.
 Data: < &#234; P&#246;           > 80 EA 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028EA01E70F0, 16 bytes long.
 Data: <@&#233; P&#246;           > 40 E9 8D 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028EA01E67E0, 16 bytes long.
 Data: <&#248;W&#138;P&#246;           > F8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028EA01E6740, 16 bytes long.
 Data: <&#216;W&#138;P&#246;           > D8 57 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028EA01E69C0, 16 bytes long.
 Data: <P &#138;P&#246;           > 50 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028EA01E6EC0, 16 bytes long.
 Data: <0 &#138;P&#246;           > 30 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028EA01E6BA0, 16 bytes long.
 Data: <&#224; &#138;P&#246;           > E0 02 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028EA01E70A0, 16 bytes long.
 Data: <  &#138;P&#246;           > 10 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028EA01E7050, 16 bytes long.
 Data: <p &#138;P&#246;           > 70 04 8A 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028EA01E7320, 16 bytes long.
 Data: < &#192; P&#246;           > 18 C0 88 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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