Task 38686852

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND4973_0
Workunit 31628261
Created 28 Oct 2026, 4:42:39 UTC
Sent 28 Oct 2026, 4:42:41 UTC
Report deadline 2 Nov 2026, 4:42:41 UTC
Received 28 Oct 2026, 6:40:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 57 min 19 sec
CPU time 50 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.09 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>
22:45:59 (13808): wrapper (7.9.26016): starting
22:45:59 (13808): 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
22:46:02 (13808): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:46:02 (13808): 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
23:40:26 (13808): C:/Windows/system32/cmd.exe exited; CPU time 3026.437500
23:40:26 (13808): 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: 62266673 bytes.
Dumping objects ->
{3835458} normal block at 0x0000018EF5EB98F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x0000018EF5EBA140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x0000018EF5EBA220, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x0000018EF3FD6380, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x0000018EF3FD6850, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x0000018EF5EC6FD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x0000018EF5EE0D50, 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) : {3835369} normal block at 0x0000018EF3FCF050, 8 bytes long.
 Data: <  Z&#244;&#142;   > 00 00 5A F4 8E 01 00 00 
{3834654} normal block at 0x0000018EF5EE0930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000018EF3FCF730, 8 bytes long.
 Data: < &#249;&#237;&#245;&#142;   > 10 F9 ED F5 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000018EF3FD2E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018EF3FC7CE0, 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 0x0000018EF3FD7C90, 16 bytes long.
 Data: <( &#253;&#243;&#142;           > 28 80 FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018EF3FD7150, 16 bytes long.
 Data: <  &#253;&#243;&#142;           > 00 80 FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018EF3FD0B40, 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 0x0000018EF3FD6F70, 16 bytes long.
 Data: <&#216; &#253;&#243;&#142;           > D8 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018EF3FD7B00, 16 bytes long.
 Data: <&#176; &#253;&#243;&#142;           > B0 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018EF3FD7290, 16 bytes long.
 Data: <  &#253;&#243;&#142;           > 88 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018EF3FD71A0, 16 bytes long.
 Data: <` &#253;&#243;&#142;           > 60 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018EF3FD6770, 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 0x0000018EF3FD70B0, 16 bytes long.
 Data: <&#232;&#248;&#251;&#243;&#142;           > E8 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018EF3FD0CC0, 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 0x0000018EF3FD7380, 16 bytes long.
 Data: <&#192;&#248;&#251;&#243;&#142;           > C0 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018EF3FD7880, 16 bytes long.
 Data: < &#248;&#251;&#243;&#142;           > 98 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018EF3FD7BF0, 16 bytes long.
 Data: <p&#248;&#251;&#243;&#142;           > 70 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018EF3FD7830, 16 bytes long.
 Data: <H&#248;&#251;&#243;&#142;           > 48 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018EF3FD77E0, 16 bytes long.
 Data: < &#248;&#251;&#243;&#142;           > 20 F8 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018EF3FD7AB0, 16 bytes long.
 Data: <&#248;&#247;&#251;&#243;&#142;           > F8 F7 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018EF3FD0A20, 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 0x0000018EF3FD7060, 16 bytes long.
 Data: <&#208;&#247;&#251;&#243;&#142;           > D0 F7 FB F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018EF3FBF7D0, 320 bytes long.
 Data: <`p&#253;&#243;&#142;     &#253;&#243;&#142;   > 60 70 FD F3 8E 01 00 00 20 0A FD F3 8E 01 00 00 
{278} normal block at 0x0000018EF3FD6E80, 16 bytes long.
 Data: <@ &#253;&#243;&#142;           > 40 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018EF3FD76A0, 16 bytes long.
 Data: <  &#253;&#243;&#142;           > 18 7F FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018EF3FD1380, 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 0x0000018EF3FD7510, 16 bytes long.
 Data: <&#240;~&#253;&#243;&#142;           > F0 7E FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018EF3FD09C0, 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 0x0000018EF3FD6D90, 16 bytes long.
 Data: <8~&#253;&#243;&#142;           > 38 7E FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018EF3FD79C0, 16 bytes long.
 Data: < ~&#253;&#243;&#142;           > 10 7E FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018EF3FD7240, 16 bytes long.
 Data: <&#232;}&#253;&#243;&#142;           > E8 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018EF3FD76F0, 16 bytes long.
 Data: <&#192;}&#253;&#243;&#142;           > C0 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018EF3FD6F20, 16 bytes long.
 Data: < }&#253;&#243;&#142;           > 98 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018EF3FD7650, 16 bytes long.
 Data: <p}&#253;&#243;&#142;           > 70 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018EF3FD71F0, 16 bytes long.
 Data: < c&#253;&#243;&#142;           > 10 63 FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018EF3FD6310, 40 bytes long.
 Data: <&#240;q&#253;&#243;&#142;   &#208;o&#236;&#245;&#142;   > F0 71 FD F3 8E 01 00 00 D0 6F EC F5 8E 01 00 00 
{264} normal block at 0x0000018EF3FD7100, 16 bytes long.
 Data: <P}&#253;&#243;&#142;           > 50 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018EF3FD7740, 16 bytes long.
 Data: <(}&#253;&#243;&#142;           > 28 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018EF3FD0EA0, 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 0x0000018EF3FD7790, 16 bytes long.
 Data: < }&#253;&#243;&#142;           > 00 7D FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018EF3FD7D00, 992 bytes long.
 Data: < w&#253;&#243;&#142;   &#160; &#253;&#243;&#142;   > 90 77 FD F3 8E 01 00 00 A0 0E FD F3 8E 01 00 00 
{96} normal block at 0x0000018EF3FD11A0, 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 0x0000018EF3FCEBF0, 16 bytes long.
 Data: <&#192;a&#253;&#243;&#142;           > C0 61 FD F3 8E 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000018EF3FD61C0, 40 bytes long.
 Data: <&#240;&#235;&#252;&#243;&#142;   &#160; &#253;&#243;&#142;   > F0 EB FC F3 8E 01 00 00 A0 11 FD F3 8E 01 00 00 
{73} normal block at 0x0000018EF3FCEF10, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018EF3FCF820, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018EF3FCEA60, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018EF3FCF7D0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018EF3FCF320, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018EF3FCEB00, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018EF3FCEBA0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018EF3FCEE70, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000018EF3FCF4B0, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000018EF3FCEFB0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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