Task 38675826

Name test_808-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND4946_0
Workunit 31617774
Created 26 Oct 2026, 9:24:48 UTC
Sent 26 Oct 2026, 9:24:53 UTC
Report deadline 31 Oct 2026, 9:24:53 UTC
Received 26 Oct 2026, 12:11:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549940
Run time 48 min 16 sec
CPU time 46 min 37 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 666.86 MB
Peak swap size 5.26 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:24:14 (7328): wrapper (7.9.26016): starting
04:24:14 (7328): 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
04:24:17 (7328): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:24:17 (7328): 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
05:10:32 (7328): C:/Windows/system32/cmd.exe exited; CPU time 2797.921875
05:10:32 (7328): 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: 32762305 bytes.
Dumping objects ->
{3835223} normal block at 0x00000262AD461240, 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 0x00000262AD4610F0, 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 0x00000262AD4611D0, 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 0x00000262AD461160, 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 0x00000262AD461390, 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 0x00000262AF0F5890, 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 0x00000262AF00E0F0, 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 0x00000262AD457450, 8 bytes long.
 Data: <  ?&#173;b   > 00 00 3F AD 62 02 00 00 
{3834539} normal block at 0x00000262AF00E1D0, 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 0x00000262AD456730, 8 bytes long.
 Data: < " &#175;b   > 80 22 15 AF 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000262AD45FFF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000262AD445DB0, 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 0x00000262AD4627E0, 16 bytes long.
 Data: < ;F&#173;b           > 88 3B 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000262AD462560, 16 bytes long.
 Data: <`;F&#173;b           > 60 3B 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000262AD45D430, 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 0x00000262AD4624C0, 16 bytes long.
 Data: <8;F&#173;b           > 38 3B 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000262AD462470, 16 bytes long.
 Data: < ;F&#173;b           > 10 3B 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000262AD4626A0, 16 bytes long.
 Data: <&#232;:F&#173;b           > E8 3A 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000262AD462420, 16 bytes long.
 Data: <&#192;:F&#173;b           > C0 3A 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000262AD461780, 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 0x00000262AD4618E0, 16 bytes long.
 Data: <H]D&#173;b           > 48 5D 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000262AD45CCB0, 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 0x00000262AD462060, 16 bytes long.
 Data: < ]D&#173;b           > 20 5D 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000262AD4623D0, 16 bytes long.
 Data: <&#248;\D&#173;b           > F8 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262AD462650, 16 bytes long.
 Data: <&#208;\D&#173;b           > D0 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000262AD461D40, 16 bytes long.
 Data: <&#168;\D&#173;b           > A8 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000262AD4622E0, 16 bytes long.
 Data: < \D&#173;b           > 80 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000262AD462290, 16 bytes long.
 Data: <X\D&#173;b           > 58 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000262AD45D2B0, 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 0x00000262AD462150, 16 bytes long.
 Data: <0\D&#173;b           > 30 5C 44 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000262AD445C30, 320 bytes long.
 Data: <P!F&#173;b   &#176;&#210;E&#173;b   > 50 21 46 AD 62 02 00 00 B0 D2 45 AD 62 02 00 00 
{272} normal block at 0x00000262AD461C50, 16 bytes long.
 Data: <&#160;:F&#173;b           > A0 3A 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000262AD462240, 16 bytes long.
 Data: <x:F&#173;b           > 78 3A 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000262AD45DA30, 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 0x00000262AD462600, 16 bytes long.
 Data: <P:F&#173;b           > 50 3A 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000262AD45CE30, 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 0x00000262AD461F70, 16 bytes long.
 Data: < 9F&#173;b           > 98 39 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000262AD4625B0, 16 bytes long.
 Data: <p9F&#173;b           > 70 39 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000262AD462790, 16 bytes long.
 Data: <H9F&#173;b           > 48 39 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000262AD462510, 16 bytes long.
 Data: < 9F&#173;b           > 20 39 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000262AD4621F0, 16 bytes long.
 Data: <&#248;8F&#173;b           > F8 38 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000262AD461F20, 16 bytes long.
 Data: <&#208;8F&#173;b           > D0 38 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000262AD461930, 16 bytes long.
 Data: <&#160; F&#173;b           > A0 16 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000262AD4616A0, 40 bytes long.
 Data: <0 F&#173;b    X &#175;b   > 30 19 46 AD 62 02 00 00 90 58 0F AF 62 02 00 00 
{258} normal block at 0x00000262AD4620B0, 16 bytes long.
 Data: <&#176;8F&#173;b           > B0 38 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000262AD461BB0, 16 bytes long.
 Data: < 8F&#173;b           > 88 38 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000262AD45D9D0, 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 0x00000262AD461E80, 16 bytes long.
 Data: <`8F&#173;b           > 60 38 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000262AD463860, 992 bytes long.
 Data: <  F&#173;b   &#208;&#217;E&#173;b   > 80 1E 46 AD 62 02 00 00 D0 D9 45 AD 62 02 00 00 
{90} normal block at 0x00000262AD45CC50, 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 0x00000262AD457270, 16 bytes long.
 Data: <p F&#173;b           > 70 14 46 AD 62 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x00000262AD461470, 40 bytes long.
 Data: <prE&#173;b   P&#204;E&#173;b   > 70 72 45 AD 62 02 00 00 50 CC 45 AD 62 02 00 00 
{67} normal block at 0x00000262AD457310, 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 0x00000262AD456550, 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 0x00000262AD4568C0, 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 0x00000262AD456D20, 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 0x00000262AD456640, 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 0x00000262AD456EB0, 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 0x00000262AD457040, 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 0x00000262AD457400, 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 0x00000262AD456E10, 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 0x00000262AD456780, 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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