Task 38684196

Name test_413-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0336_0
Workunit 31625717
Created 27 Oct 2026, 15:09:04 UTC
Sent 27 Oct 2026, 15:09:07 UTC
Report deadline 1 Nov 2026, 15:09:07 UTC
Received 27 Oct 2026, 16:31:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632099
Run time 27 min 16 sec
CPU time 26 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,032.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.52 MB
Peak swap size 12.95 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:04:52 (16280): wrapper (7.9.26016): starting
17:04:52 (16280): 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
17:04:53 (16280): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:04:53 (16280): 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\9\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\9\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
17:31:14 (16280): C:/Windows/system32/cmd.exe exited; CPU time 1619.484375
17:31:14 (16280): 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: 21080331 bytes.
Dumping objects ->
{3835270} normal block at 0x0000016E9E806CB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x0000016E9E806C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x0000016E9E806BD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x0000016E9E806850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000016E9E806FC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x0000016EA0524DE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000016EA0440AA0, 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) : {3835181} normal block at 0x0000016E9E7D7D70, 8 bytes long.
 Data: <  !&#160;n   > 00 00 21 A0 6E 01 00 00 
{3834569} normal block at 0x0000016EA0440720, 160 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 0x0000016E9E7D7370, 8 bytes long.
 Data: <  X&#160;n   > 00 19 58 A0 6E 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000016E9E7E2290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016E9E7CD650, 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 0x0000016E9E7E35A0, 16 bytes long.
 Data: <&#200;D~&#158;n           > C8 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000016E9E7E3D20, 16 bytes long.
 Data: <&#160;D~&#158;n           > A0 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016E9E7DDDA0, 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 0x0000016E9E7E31E0, 16 bytes long.
 Data: <xD~&#158;n           > 78 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016E9E7E3CD0, 16 bytes long.
 Data: <PD~&#158;n           > 50 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016E9E7E3500, 16 bytes long.
 Data: <(D~&#158;n           > 28 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016E9E7E3BE0, 16 bytes long.
 Data: < D~&#158;n           > 00 44 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016E9E7DF6B0, 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 0x0000016E9E7E3230, 16 bytes long.
 Data: < &#188;|&#158;n           > 18 BC 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016E9E7DDE00, 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 0x0000016E9E7E3460, 16 bytes long.
 Data: <&#240;&#187;|&#158;n           > F0 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016E9E7E3B90, 16 bytes long.
 Data: <&#200;&#187;|&#158;n           > C8 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016E9E7E35F0, 16 bytes long.
 Data: <&#160;&#187;|&#158;n           > A0 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016E9E7E3640, 16 bytes long.
 Data: <x&#187;|&#158;n           > 78 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016E9E7E3E60, 16 bytes long.
 Data: <P&#187;|&#158;n           > 50 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016E9E7E3A00, 16 bytes long.
 Data: <(&#187;|&#158;n           > 28 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016E9E7DDD40, 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 0x0000016E9E7E3370, 16 bytes long.
 Data: < &#187;|&#158;n           > 00 BB 7C 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016E9E7CBB00, 320 bytes long.
 Data: <p3~&#158;n   @&#221;}&#158;n   > 70 33 7E 9E 6E 01 00 00 40 DD 7D 9E 6E 01 00 00 
{274} normal block at 0x0000016E9E7E3B40, 16 bytes long.
 Data: <&#224;C~&#158;n           > E0 43 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016E9E7E3410, 16 bytes long.
 Data: <&#184;C~&#158;n           > B8 43 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016E9E7DD740, 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 0x0000016E9E7E3320, 16 bytes long.
 Data: < C~&#158;n           > 90 43 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016E9E7DDA40, 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 0x0000016E9E7E34B0, 16 bytes long.
 Data: <&#216;B~&#158;n           > D8 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016E9E7E3F00, 16 bytes long.
 Data: <&#176;B~&#158;n           > B0 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016E9E7E3550, 16 bytes long.
 Data: < B~&#158;n           > 88 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016E9E7E33C0, 16 bytes long.
 Data: <`B~&#158;n           > 60 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016E9E7E3960, 16 bytes long.
 Data: <8B~&#158;n           > 38 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016E9E7E3DC0, 16 bytes long.
 Data: < B~&#158;n           > 10 42 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016E9E7E3C30, 16 bytes long.
 Data: <P&#249;}&#158;n           > 50 F9 7D 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016E9E7DF950, 40 bytes long.
 Data: <0<~&#158;n   &#224;MR&#160;n   > 30 3C 7E 9E 6E 01 00 00 E0 4D 52 A0 6E 01 00 00 
{260} normal block at 0x0000016E9E7E4090, 16 bytes long.
 Data: <&#240;A~&#158;n           > F0 41 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016E9E7E3AA0, 16 bytes long.
 Data: <&#200;A~&#158;n           > C8 41 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016E9E7DDB60, 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 0x0000016E9E7E3A50, 16 bytes long.
 Data: <&#160;A~&#158;n           > A0 41 7E 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016E9E7E41A0, 992 bytes long.
 Data: <P:~&#158;n   `&#219;}&#158;n   > 50 3A 7E 9E 6E 01 00 00 60 DB 7D 9E 6E 01 00 00 
{92} normal block at 0x0000016E9E7DE340, 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 0x0000016E9E7D8270, 16 bytes long.
 Data: < &#251;}&#158;n           > 10 FB 7D 9E 6E 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000016E9E7DFB10, 40 bytes long.
 Data: <p&#130;}&#158;n   @&#227;}&#158;n   > 70 82 7D 9E 6E 01 00 00 40 E3 7D 9E 6E 01 00 00 
{69} normal block at 0x0000016E9E7D7460, 16 bytes long.
 Data: < &#234;&#171;&#191;&#246;           > 80 EA AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016E9E7D79B0, 16 bytes long.
 Data: <@&#233;&#171;&#191;&#246;           > 40 E9 AB BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016E9E7D7640, 16 bytes long.
 Data: <&#248;W&#168;&#191;&#246;           > F8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016E9E7D7FF0, 16 bytes long.
 Data: <&#216;W&#168;&#191;&#246;           > D8 57 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016E9E7D8180, 16 bytes long.
 Data: <P &#168;&#191;&#246;           > 50 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016E9E7D7870, 16 bytes long.
 Data: <0 &#168;&#191;&#246;           > 30 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016E9E7D7BE0, 16 bytes long.
 Data: <&#224; &#168;&#191;&#246;           > E0 02 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016E9E7D73C0, 16 bytes long.
 Data: <  &#168;&#191;&#246;           > 10 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016E9E7D8220, 16 bytes long.
 Data: <p &#168;&#191;&#246;           > 70 04 A8 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016E9E7D76E0, 16 bytes long.
 Data: < &#192;&#166;&#191;&#246;           > 18 C0 A6 BF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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