Task 38681979

Name test_726-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1953_0
Workunit 31623619
Created 27 Oct 2026, 6:04:07 UTC
Sent 27 Oct 2026, 6:04:09 UTC
Report deadline 1 Nov 2026, 6:04:09 UTC
Received 27 Oct 2026, 6:25:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622645
Run time 20 min 47 sec
CPU time 19 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,093.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.98 MB
Peak swap size 6.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:05:24 (18724): wrapper (7.9.26016): starting
07:05:24 (18724): 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
07:05:25 (18724): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:05:25 (18724): 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
07:25:03 (18724): C:/Windows/system32/cmd.exe exited; CPU time 1159.515625
07:25:03 (18724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22865299 bytes.
Dumping objects ->
{3835277} normal block at 0x000001DB8B37B1C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x000001DB8B37B8C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x000001DB8B354F20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835244} normal block at 0x000001DB8B354CF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000001DB8B355380, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835202} normal block at 0x000001DB8D014E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x000001DB8D02F650, 102 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) : {3835188} normal block at 0x000001DB8B34EF60, 8 bytes long.
 Data: <  u&#139;&#219;   > 00 00 75 8B DB 01 00 00 
{3834570} normal block at 0x000001DB8D02F5A0, 102 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 0x000001DB8B34F2D0, 8 bytes long.
 Data: <p&#218;3&#139;&#219;   > 70 DA 33 8B DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DB8B34DD20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DB8B345C60, 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 0x000001DB8B3562B0, 16 bytes long.
 Data: <&#232;k5&#139;&#219;           > E8 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DB8B355900, 16 bytes long.
 Data: <&#192;k5&#139;&#219;           > C0 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB8B350630, 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 0x000001DB8B356030, 16 bytes long.
 Data: < k5&#139;&#219;           > 98 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB8B355E00, 16 bytes long.
 Data: <pk5&#139;&#219;           > 70 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DB8B3563F0, 16 bytes long.
 Data: <Hk5&#139;&#219;           > 48 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DB8B355D60, 16 bytes long.
 Data: < k5&#139;&#219;           > 20 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB8B354DD0, 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 0x000001DB8B3559A0, 16 bytes long.
 Data: <&#232;&#138;4&#139;&#219;           > E8 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB8B3504B0, 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 0x000001DB8B355E50, 16 bytes long.
 Data: <&#192;&#138;4&#139;&#219;           > C0 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB8B356350, 16 bytes long.
 Data: < &#138;4&#139;&#219;           > 98 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DB8B3565D0, 16 bytes long.
 Data: <p&#138;4&#139;&#219;           > 70 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DB8B355EF0, 16 bytes long.
 Data: <H&#138;4&#139;&#219;           > 48 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB8B355CC0, 16 bytes long.
 Data: < &#138;4&#139;&#219;           > 20 8A 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB8B355BD0, 16 bytes long.
 Data: <&#248;&#137;4&#139;&#219;           > F8 89 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB8B3507B0, 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 0x000001DB8B356170, 16 bytes long.
 Data: <&#208;&#137;4&#139;&#219;           > D0 89 34 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB8B3489D0, 320 bytes long.
 Data: <pa5&#139;&#219;   &#176; 5&#139;&#219;   > 70 61 35 8B DB 01 00 00 B0 07 35 8B DB 01 00 00 
{276} normal block at 0x000001DB8B355D10, 16 bytes long.
 Data: < k5&#139;&#219;           > 00 6B 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DB8B3563A0, 16 bytes long.
 Data: <&#216;j5&#139;&#219;           > D8 6A 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB8B3502D0, 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 0x000001DB8B355B80, 16 bytes long.
 Data: <&#176;j5&#139;&#219;           > B0 6A 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB8B350150, 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 0x000001DB8B356120, 16 bytes long.
 Data: <&#248;i5&#139;&#219;           > F8 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DB8B355EA0, 16 bytes long.
 Data: <&#208;i5&#139;&#219;           > D0 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB8B3560D0, 16 bytes long.
 Data: <&#168;i5&#139;&#219;           > A8 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DB8B355DB0, 16 bytes long.
 Data: < i5&#139;&#219;           > 80 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB8B355C70, 16 bytes long.
 Data: <Xi5&#139;&#219;           > 58 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB8B355AE0, 16 bytes long.
 Data: <0i5&#139;&#219;           > 30 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB8B356850, 16 bytes long.
 Data: <&#224;P5&#139;&#219;           > E0 50 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB8B3550E0, 40 bytes long.
 Data: <Ph5&#139;&#219;    N  &#219;   > 50 68 35 8B DB 01 00 00 00 4E 01 8D DB 01 00 00 
{262} normal block at 0x000001DB8B355A40, 16 bytes long.
 Data: < i5&#139;&#219;           > 10 69 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB8B356800, 16 bytes long.
 Data: <&#232;h5&#139;&#219;           > E8 68 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DB8B3503F0, 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 0x000001DB8B355B30, 16 bytes long.
 Data: <&#192;h5&#139;&#219;           > C0 68 35 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB8B3568C0, 992 bytes long.
 Data: <0[5&#139;&#219;   &#240; 5&#139;&#219;   > 30 5B 35 8B DB 01 00 00 F0 03 35 8B DB 01 00 00 
{94} normal block at 0x000001DB8B350030, 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 0x000001DB8B34F4B0, 16 bytes long.
 Data: < &#196;3&#139;&#219;           > 80 C4 33 8B DB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001DB8B33C480, 40 bytes long.
 Data: <&#176;&#244;4&#139;&#219;   0 5&#139;&#219;   > B0 F4 34 8B DB 01 00 00 30 00 35 8B DB 01 00 00 
{71} normal block at 0x000001DB8B34FC30, 16 bytes long.
 Data: < &#234;&#224;&#228;&#246;           > 80 EA E0 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DB8B34FBE0, 16 bytes long.
 Data: <@&#233;&#224;&#228;&#246;           > 40 E9 E0 E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DB8B34F780, 16 bytes long.
 Data: <&#248;W&#221;&#228;&#246;           > F8 57 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DB8B34F230, 16 bytes long.
 Data: <&#216;W&#221;&#228;&#246;           > D8 57 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB8B34F550, 16 bytes long.
 Data: <P &#221;&#228;&#246;           > 50 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB8B34F140, 16 bytes long.
 Data: <0 &#221;&#228;&#246;           > 30 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB8B34F0F0, 16 bytes long.
 Data: <&#224; &#221;&#228;&#246;           > E0 02 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DB8B34F0A0, 16 bytes long.
 Data: <  &#221;&#228;&#246;           > 10 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DB8B34F280, 16 bytes long.
 Data: <p &#221;&#228;&#246;           > 70 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DB8B34F960, 16 bytes long.
 Data: < &#192;&#219;&#228;&#246;           > 18 C0 DB E4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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