Task 38684593

Name test_627-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND2240_0
Workunit 31626101
Created 27 Oct 2026, 17:05:24 UTC
Sent 27 Oct 2026, 17:05:28 UTC
Report deadline 1 Nov 2026, 17:05:28 UTC
Received 27 Oct 2026, 17:31:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648578
Run time 24 min 16 sec
CPU time 23 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,163.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.16 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:06:43 (6668): wrapper (7.9.26016): starting
18:06:43 (6668): 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
18:06:44 (6668): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:06:44 (6668): 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\1\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\1\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
18:30:23 (6668): C:/Windows/system32/cmd.exe exited; CPU time 1391.187500
18:30:23 (6668): called boinc_finish(0)
0 bytes in 0 Free Blocks.
422 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: 20885586 bytes.
Dumping objects ->
{3835554} normal block at 0x000002627C380680, 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 0x000002627A614D40, 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 0x000002627A614B80, 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 0x000002627A614CD0, 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 0x000002627A614E90, 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 0x000002627C3FB0F0, 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 0x000002627A605F80, 83 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 0x000002627A60EAA0, 8 bytes long.
 Data: <  &#174;zb   > 00 00 AE 7A 62 02 00 00 
{3834684} normal block at 0x000002627A605EF0, 83 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002627A60ED20, 8 bytes long.
 Data: <&#176;&#227;"|b   > B0 E3 22 7C 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002627A610F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002627A6061C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002627A6161A0, 16 bytes long.
 Data: <hgazb           > 68 67 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002627A615D40, 16 bytes long.
 Data: <@gazb           > 40 67 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002627A60F9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002627A616010, 16 bytes long.
 Data: < gazb           > 18 67 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002627A615890, 16 bytes long.
 Data: <&#240;fazb           > F0 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002627A6163D0, 16 bytes long.
 Data: <&#200;fazb           > C8 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002627A615E80, 16 bytes long.
 Data: <&#160;fazb           > A0 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002627A614BF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002627A615C50, 16 bytes long.
 Data: < &#231;`zb           > 98 E7 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002627A60FE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002627A616380, 16 bytes long.
 Data: <p&#231;`zb           > 70 E7 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002627A615A70, 16 bytes long.
 Data: <H&#231;`zb           > 48 E7 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002627A615A20, 16 bytes long.
 Data: < &#231;`zb           > 20 E7 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002627A615C00, 16 bytes long.
 Data: <&#248;&#230;`zb           > F8 E6 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002627A616330, 16 bytes long.
 Data: <&#208;&#230;`zb           > D0 E6 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002627A616150, 16 bytes long.
 Data: <&#168;&#230;`zb           > A8 E6 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002627A60FDA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002627A615980, 16 bytes long.
 Data: < &#230;`zb           > 80 E6 60 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002627A60E680, 320 bytes long.
 Data: < Yazb   &#160;&#253;`zb   > 80 59 61 7A 62 02 00 00 A0 FD 60 7A 62 02 00 00 
{274} normal block at 0x000002627A616240, 16 bytes long.
 Data: < fazb           > 80 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002627A6162E0, 16 bytes long.
 Data: <Xfazb           > 58 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002627A6101C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002627A615FC0, 16 bytes long.
 Data: <0fazb           > 30 66 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002627A6103A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002627A615BB0, 16 bytes long.
 Data: <xeazb           > 78 65 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002627A6157F0, 16 bytes long.
 Data: <Peazb           > 50 65 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002627A615F70, 16 bytes long.
 Data: <(eazb           > 28 65 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002627A616100, 16 bytes long.
 Data: < eazb           > 00 65 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002627A615ED0, 16 bytes long.
 Data: <&#216;dazb           > D8 64 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002627A6160B0, 16 bytes long.
 Data: <&#176;dazb           > B0 64 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002627A6157A0, 16 bytes long.
 Data: <`Lazb           > 60 4C 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002627A614C60, 40 bytes long.
 Data: <&#160;Wazb   &#240;&#176;?|b   > A0 57 61 7A 62 02 00 00 F0 B0 3F 7C 62 02 00 00 
{260} normal block at 0x000002627A6156B0, 16 bytes long.
 Data: < dazb           > 90 64 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002627A616290, 16 bytes long.
 Data: <hdazb           > 68 64 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002627A610340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002627A6159D0, 16 bytes long.
 Data: <@dazb           > 40 64 61 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002627A616440, 992 bytes long.
 Data: <&#208;Yazb   @ azb   > D0 59 61 7A 62 02 00 00 40 03 61 7A 62 02 00 00 
{92} normal block at 0x000002627A610040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002627A60E9B0, 16 bytes long.
 Data: <p&#240;_zb           > 70 F0 5F 7A 62 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002627A5FF070, 40 bytes long.
 Data: <&#176;&#233;`zb   @ azb   > B0 E9 60 7A 62 02 00 00 40 00 61 7A 62 02 00 00 
{69} normal block at 0x000002627A60ECD0, 16 bytes long.
 Data: < &#234;&#253;C&#247;           > 80 EA FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002627A60F4A0, 16 bytes long.
 Data: <@&#233;&#253;C&#247;           > 40 E9 FD 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002627A60F810, 16 bytes long.
 Data: <&#248;W&#250;C&#247;           > F8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002627A60E960, 16 bytes long.
 Data: <&#216;W&#250;C&#247;           > D8 57 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002627A60F4F0, 16 bytes long.
 Data: <P &#250;C&#247;           > 50 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002627A60F450, 16 bytes long.
 Data: <0 &#250;C&#247;           > 30 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002627A60EE10, 16 bytes long.
 Data: <&#224; &#250;C&#247;           > E0 02 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002627A60F0E0, 16 bytes long.
 Data: <  &#250;C&#247;           > 10 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002627A60F630, 16 bytes long.
 Data: <p &#250;C&#247;           > 70 04 FA 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002627A60F720, 16 bytes long.
 Data: < &#192;&#248;C&#247;           > 18 C0 F8 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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