Task 38697696

Name test_980-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7126_0
Workunit 31638253
Created 1 Nov 2026, 19:48:22 UTC
Sent 1 Nov 2026, 19:48:23 UTC
Report deadline 6 Nov 2026, 19:48:23 UTC
Received 1 Nov 2026, 21:00:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654940
Run time 33 min 49 sec
CPU time 31 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.84 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:26:54 (38688): wrapper (7.9.26016): starting
21:26:54 (38688): 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
21:26:56 (38688): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:26:56 (38688): 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
21:59:43 (38688): C:/Windows/system32/cmd.exe exited; CPU time 1877.984375
21:59:43 (38688): 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: 45142411 bytes.
Dumping objects ->
{3835270} normal block at 0x0000023B09A7C4D0, 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 0x0000023B09A580F0, 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 0x0000023B09A58080, 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 0x0000023B09A57F30, 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 0x0000023B09A57E50, 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 0x0000023B0B7CA990, 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) : {3835182} normal block at 0x0000023B09A500F0, 8 bytes long.
 Data: <  &#239;	;   > 00 00 EF 09 3B 02 00 00 
{3833965} normal block at 0x0000023B09A4F970, 8 bytes long.
 Data: < y&#133; ;   > 00 79 85 0B 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000023B09A406D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023B09A48200, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000023B09A58ED0, 16 bytes long.
 Data: <H &#165;	;           > 48 99 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023B09A59420, 16 bytes long.
 Data: <  &#165;	;           > 20 99 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023B09A52640, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000023B09A58E80, 16 bytes long.
 Data: <&#248; &#165;	;           > F8 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023B09A59380, 16 bytes long.
 Data: <&#208; &#165;	;           > D0 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023B09A58D90, 16 bytes long.
 Data: <&#168; &#165;	;           > A8 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023B09A58BB0, 16 bytes long.
 Data: <  &#165;	;           > 80 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023B09A58320, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000023B09A58B60, 16 bytes long.
 Data: <&#216; &#164;	;           > D8 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023B09A52400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000023B09A58A70, 16 bytes long.
 Data: <&#176; &#164;	;           > B0 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023B09A59010, 16 bytes long.
 Data: <  &#164;	;           > 88 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023B09A59240, 16 bytes long.
 Data: <` &#164;	;           > 60 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023B09A58DE0, 16 bytes long.
 Data: <8 &#164;	;           > 38 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023B09A58660, 16 bytes long.
 Data: <  &#164;	;           > 10 0F A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023B09A588E0, 16 bytes long.
 Data: <&#232; &#164;	;           > E8 0E A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023B09A52340, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000023B09A587A0, 16 bytes long.
 Data: <&#192; &#164;	;           > C0 0E A4 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023B09A40EC0, 320 bytes long.
 Data: <&#160;&#135;&#165;	;   @#&#165;	;   > A0 87 A5 09 3B 02 00 00 40 23 A5 09 3B 02 00 00 
{278} normal block at 0x0000023B09A58E30, 16 bytes long.
 Data: <` &#165;	;           > 60 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023B09A591F0, 16 bytes long.
 Data: <8 &#165;	;           > 38 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023B09A522E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000023B09A58980, 16 bytes long.
 Data: <  &#165;	;           > 10 98 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023B09A52520, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000023B09A592E0, 16 bytes long.
 Data: <X&#151;&#165;	;           > 58 97 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023B09A58890, 16 bytes long.
 Data: <0&#151;&#165;	;           > 30 97 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023B09A59060, 16 bytes long.
 Data: < &#151;&#165;	;           > 08 97 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023B09A58D40, 16 bytes long.
 Data: <&#224;&#150;&#165;	;           > E0 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023B09A58F20, 16 bytes long.
 Data: <&#184;&#150;&#165;	;           > B8 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023B09A59290, 16 bytes long.
 Data: < &#150;&#165;	;           > 90 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023B09A589D0, 16 bytes long.
 Data: <&#192;~&#165;	;           > C0 7E A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023B09A57EC0, 40 bytes long.
 Data: <&#208;&#137;&#165;	;    &#169;| ;   > D0 89 A5 09 3B 02 00 00 90 A9 7C 0B 3B 02 00 00 
{264} normal block at 0x0000023B09A58C00, 16 bytes long.
 Data: <p&#150;&#165;	;           > 70 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023B09A58750, 16 bytes long.
 Data: <H&#150;&#165;	;           > 48 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023B09A51F20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000023B09A58A20, 16 bytes long.
 Data: < &#150;&#165;	;           > 20 96 A5 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023B09A59620, 992 bytes long.
 Data: < &#138;&#165;	;     &#165;	;   > 20 8A A5 09 3B 02 00 00 20 1F A5 09 3B 02 00 00 
{96} normal block at 0x0000023B09A51E60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000023B09A4FA10, 16 bytes long.
 Data: < &#225;&#163;	;           > 00 E1 A3 09 3B 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000023B09A3E100, 40 bytes long.
 Data: < &#250;&#164;	;   ` &#165;	;   > 10 FA A4 09 3B 02 00 00 60 1E A5 09 3B 02 00 00 
{73} normal block at 0x0000023B09A4FBA0, 16 bytes long.
 Data: < &#234;S&#207;&#247;           > 80 EA 53 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023B09A4FAB0, 16 bytes long.
 Data: <@&#233;S&#207;&#247;           > 40 E9 53 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023B09A50460, 16 bytes long.
 Data: <&#248;WP&#207;&#247;           > F8 57 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023B09A50230, 16 bytes long.
 Data: <&#216;WP&#207;&#247;           > D8 57 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023B09A4FC90, 16 bytes long.
 Data: <P P&#207;&#247;           > 50 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023B09A50410, 16 bytes long.
 Data: <0 P&#207;&#247;           > 30 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023B09A505A0, 16 bytes long.
 Data: <&#224; P&#207;&#247;           > E0 02 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023B09A4FBF0, 16 bytes long.
 Data: <  P&#207;&#247;           > 10 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023B09A4FD80, 16 bytes long.
 Data: <p P&#207;&#247;           > 70 04 50 CF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023B09A4FF10, 16 bytes long.
 Data: < &#192;N&#207;&#247;           > 18 C0 4E CF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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