Task 38650931

Name test_154-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND5883_1
Workunit 31593035
Created 24 Oct 2026, 0:32:12 UTC
Sent 24 Oct 2026, 4:58:19 UTC
Report deadline 29 Oct 2026, 4:58:19 UTC
Received 24 Oct 2026, 6:33:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651905
Run time 30 min 22 sec
CPU time 24 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,624.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.46 MB
Peak swap size 6.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:03:48 (62704): wrapper (7.9.26016): starting
09:03:48 (62704): 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
09:03:49 (62704): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:03:49 (62704): 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\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 'C:\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
09:33:16 (62704): C:/Windows/system32/cmd.exe exited; CPU time 1456.859375
09:33:16 (62704): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 25250965 bytes.
Dumping objects ->
{3835554} normal block at 0x000001518988D3D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835543} normal block at 0x000001518988CA30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000151898676B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835521} normal block at 0x00000151898673A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000015189867560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835479} normal block at 0x000001518B45AFF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001518B4B5EB0, 120 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) : {3835465} normal block at 0x000001518985E380, 8 bytes long.
 Data: <  &#129;&#137;Q   > 00 00 81 89 51 01 00 00 
{3834692} normal block at 0x000001518B4B5AF0, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001518985E330, 8 bytes long.
 Data: < &#220;&#132;&#137;Q   > 20 DC 84 89 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000015189861B20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000015189856570, 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 0x0000015189867940, 16 bytes long.
 Data: < &#139;&#134;&#137;Q           > 88 8B 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015189868160, 16 bytes long.
 Data: <`&#139;&#134;&#137;Q           > 60 8B 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000151898601D0, 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 0x0000015189867F30, 16 bytes long.
 Data: <8&#139;&#134;&#137;Q           > 38 8B 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015189868200, 16 bytes long.
 Data: < &#139;&#134;&#137;Q           > 10 8B 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015189867C60, 16 bytes long.
 Data: <&#232;&#138;&#134;&#137;Q           > E8 8A 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015189867A80, 16 bytes long.
 Data: <&#192;&#138;&#134;&#137;Q           > C0 8A 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015189867170, 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 0x0000015189867C10, 16 bytes long.
 Data: < &#243;&#132;&#137;Q           > 08 F3 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015189860410, 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 0x0000015189868520, 16 bytes long.
 Data: <&#224;&#242;&#132;&#137;Q           > E0 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000151898681B0, 16 bytes long.
 Data: <&#184;&#242;&#132;&#137;Q           > B8 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000151898679E0, 16 bytes long.
 Data: <&#144;&#242;&#132;&#137;Q           > 90 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015189867BC0, 16 bytes long.
 Data: <h&#242;&#132;&#137;Q           > 68 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015189868070, 16 bytes long.
 Data: <@&#242;&#132;&#137;Q           > 40 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015189867D50, 16 bytes long.
 Data: < &#242;&#132;&#137;Q           > 18 F2 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015189860770, 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 0x0000015189867B70, 16 bytes long.
 Data: <&#240;&#241;&#132;&#137;Q           > F0 F1 84 89 51 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001518984F1F0, 320 bytes long.
 Data: <p{&#134;&#137;Q   p &#134;&#137;Q   > 70 7B 86 89 51 01 00 00 70 07 86 89 51 01 00 00 
{276} normal block at 0x0000015189868020, 16 bytes long.
 Data: <&#160;&#138;&#134;&#137;Q           > A0 8A 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015189868250, 16 bytes long.
 Data: <x&#138;&#134;&#137;Q           > 78 8A 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000151898604D0, 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 0x00000151898686B0, 16 bytes long.
 Data: <P&#138;&#134;&#137;Q           > 50 8A 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001518985FAB0, 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 0x0000015189867AD0, 16 bytes long.
 Data: < &#137;&#134;&#137;Q           > 98 89 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000151898682F0, 16 bytes long.
 Data: <p&#137;&#134;&#137;Q           > 70 89 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015189867B20, 16 bytes long.
 Data: <H&#137;&#134;&#137;Q           > 48 89 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000151898678F0, 16 bytes long.
 Data: < &#137;&#134;&#137;Q           > 20 89 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015189868700, 16 bytes long.
 Data: <&#248; &#134;&#137;Q           > F8 88 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015189868340, 16 bytes long.
 Data: <&#208; &#134;&#137;Q           > D0 88 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000151898682A0, 16 bytes long.
 Data: <&#144;p&#134;&#137;Q           > 90 70 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015189867090, 40 bytes long.
 Data: <&#160;&#130;&#134;&#137;Q   &#240;&#175;E&#139;Q   > A0 82 86 89 51 01 00 00 F0 AF 45 8B 51 01 00 00 
{262} normal block at 0x0000015189868570, 16 bytes long.
 Data: <&#176; &#134;&#137;Q           > B0 88 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000151898685C0, 16 bytes long.
 Data: <  &#134;&#137;Q           > 88 88 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001518985FDB0, 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 0x0000015189867A30, 16 bytes long.
 Data: <` &#134;&#137;Q           > 60 88 86 89 51 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015189868860, 992 bytes long.
 Data: <0z&#134;&#137;Q   &#176;&#253;&#133;&#137;Q   > 30 7A 86 89 51 01 00 00 B0 FD 85 89 51 01 00 00 
{94} normal block at 0x000001518985FCF0, 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 0x000001518985E1A0, 16 bytes long.
 Data: < &#244;&#133;&#137;Q           > 20 F4 85 89 51 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001518985F420, 40 bytes long.
 Data: <&#160;&#225;&#133;&#137;Q   &#240;&#252;&#133;&#137;Q   > A0 E1 85 89 51 01 00 00 F0 FC 85 89 51 01 00 00 
{71} normal block at 0x000001518985DB10, 16 bytes long.
 Data: <&#128;&#234;/#&#247;           > 80 EA 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001518985E0B0, 16 bytes long.
 Data: <@&#233;/#&#247;           > 40 E9 2F 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001518985D7F0, 16 bytes long.
 Data: <&#248;W,#&#247;           > F8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001518985D750, 16 bytes long.
 Data: <&#216;W,#&#247;           > D8 57 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001518985DFC0, 16 bytes long.
 Data: <P ,#&#247;           > 50 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001518985DF70, 16 bytes long.
 Data: <0 ,#&#247;           > 30 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001518985DD90, 16 bytes long.
 Data: <&#224; ,#&#247;           > E0 02 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001518985E060, 16 bytes long.
 Data: <  ,#&#247;           > 10 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001518985D9D0, 16 bytes long.
 Data: <p ,#&#247;           > 70 04 2C 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001518985D890, 16 bytes long.
 Data: < &#192;*#&#247;           > 18 C0 2A 23 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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