Task 38687519

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND7124_0
Workunit 31628905
Created 28 Oct 2026, 8:16:32 UTC
Sent 28 Oct 2026, 8:16:36 UTC
Report deadline 2 Nov 2026, 8:16:36 UTC
Received 28 Oct 2026, 9:36:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652922
Run time 20 min 15 sec
CPU time 18 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.07 MB
Peak swap size 8.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:16:27 (45156): wrapper (7.9.26016): starting
04:16:27 (45156): 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
04:16:28 (45156): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:16:28 (45156): 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\11\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\11\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
04:35:45 (45156): C:/Windows/system32/cmd.exe exited; CPU time 1132.093750
04:35:45 (45156): 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: 21951803 bytes.
Dumping objects ->
{3835250} normal block at 0x0000013E985DD150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000013E96884AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000013E968847D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000013E96884CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000013E96884760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000013E98624FF0, 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) : {3835162} normal block at 0x0000013E9687E800, 8 bytes long.
 Data: <  &#199;&#150;>   > 00 00 C7 96 3E 01 00 00 
{3833961} normal block at 0x0000013E9687EC60, 8 bytes long.
 Data: <&#176;&#227;S >   > B0 E3 53 98 3E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000013E96881590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013E968762E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000013E96885870, 16 bytes long.
 Data: < g &#150;>           > 98 67 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013E96886220, 16 bytes long.
 Data: <pg &#150;>           > 70 67 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013E9687FE20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000013E968861D0, 16 bytes long.
 Data: <Hg &#150;>           > 48 67 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013E96886130, 16 bytes long.
 Data: < g &#150;>           > 20 67 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013E968858C0, 16 bytes long.
 Data: <&#248;f &#150;>           > F8 66 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013E96885C80, 16 bytes long.
 Data: <&#208;f &#150;>           > D0 66 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013E96884840, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000013E968863B0, 16 bytes long.
 Data: < &#230;&#135;&#150;>           > 18 E6 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013E96880180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000013E96885910, 16 bytes long.
 Data: <&#240;&#229;&#135;&#150;>           > F0 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013E96885AF0, 16 bytes long.
 Data: <&#200;&#229;&#135;&#150;>           > C8 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013E96885820, 16 bytes long.
 Data: <&#160;&#229;&#135;&#150;>           > A0 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013E96885F50, 16 bytes long.
 Data: <x&#229;&#135;&#150;>           > 78 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013E96885E60, 16 bytes long.
 Data: <P&#229;&#135;&#150;>           > 50 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013E968856E0, 16 bytes long.
 Data: <(&#229;&#135;&#150;>           > 28 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013E96880480, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000013E96885F00, 16 bytes long.
 Data: < &#229;&#135;&#150;>           > 00 E5 87 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013E9687E500, 320 bytes long.
 Data: < _ &#150;>      &#150;>   > 00 5F 88 96 3E 01 00 00 80 04 88 96 3E 01 00 00 
{276} normal block at 0x0000013E96885EB0, 16 bytes long.
 Data: <&#176;f &#150;>           > B0 66 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013E96885640, 16 bytes long.
 Data: < f &#150;>           > 88 66 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013E96880360, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000013E96885D70, 16 bytes long.
 Data: <`f &#150;>           > 60 66 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013E96880060, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000013E968855F0, 16 bytes long.
 Data: <&#168;e &#150;>           > A8 65 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013E968855A0, 16 bytes long.
 Data: < e &#150;>           > 80 65 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013E96886180, 16 bytes long.
 Data: <Xe &#150;>           > 58 65 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013E96885780, 16 bytes long.
 Data: <0e &#150;>           > 30 65 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013E96885C30, 16 bytes long.
 Data: < e &#150;>           > 08 65 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013E96885FA0, 16 bytes long.
 Data: <&#224;d &#150;>           > E0 64 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013E96885690, 16 bytes long.
 Data: <PK &#150;>           > 50 4B 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013E96884B50, 40 bytes long.
 Data: < V &#150;>   &#240;Ob >   > 90 56 88 96 3E 01 00 00 F0 4F 62 98 3E 01 00 00 
{262} normal block at 0x0000013E96885550, 16 bytes long.
 Data: <&#192;d &#150;>           > C0 64 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013E96885D20, 16 bytes long.
 Data: < d &#150;>           > 98 64 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013E9687FAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000013E96885730, 16 bytes long.
 Data: <pd &#150;>           > 70 64 88 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013E96886470, 992 bytes long.
 Data: <0W &#150;>   &#192;&#250;&#135;&#150;>   > 30 57 88 96 3E 01 00 00 C0 FA 87 96 3E 01 00 00 
{94} normal block at 0x0000013E9687FF40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000013E9687F430, 16 bytes long.
 Data: < &#237;&#134;&#150;>           > 80 ED 86 96 3E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000013E9686ED80, 40 bytes long.
 Data: <0&#244;&#135;&#150;>   @&#255;&#135;&#150;>   > 30 F4 87 96 3E 01 00 00 40 FF 87 96 3E 01 00 00 
{71} normal block at 0x0000013E9687EF30, 16 bytes long.
 Data: < &#234; Z&#246;           > 80 EA 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013E9687F2F0, 16 bytes long.
 Data: <@&#233; Z&#246;           > 40 E9 17 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013E9687EC10, 16 bytes long.
 Data: <&#248;W Z&#246;           > F8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013E9687EFD0, 16 bytes long.
 Data: <&#216;W Z&#246;           > D8 57 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013E9687EF80, 16 bytes long.
 Data: <P  Z&#246;           > 50 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013E9687EB70, 16 bytes long.
 Data: <0  Z&#246;           > 30 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013E9687F5C0, 16 bytes long.
 Data: <&#224;  Z&#246;           > E0 02 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013E9687E850, 16 bytes long.
 Data: <   Z&#246;           > 10 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013E9687F200, 16 bytes long.
 Data: <p  Z&#246;           > 70 04 14 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013E9687F1B0, 16 bytes long.
 Data: < &#192; Z&#246;           > 18 C0 12 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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