Task 38685130

Name test_996-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4488_0
Workunit 31626614
Created 27 Oct 2026, 19:32:39 UTC
Sent 27 Oct 2026, 19:32:50 UTC
Report deadline 1 Nov 2026, 19:32:50 UTC
Received 27 Oct 2026, 20:24:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 20 min 54 sec
CPU time 20 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.44 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:00:21 (15028): wrapper (7.9.26016): starting
15:00:21 (15028): 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
15:00:22 (15028): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:00:22 (15028): 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
15:20:42 (15028): C:/Windows/system32/cmd.exe exited; CPU time 1239.140625
15:20:42 (15028): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15226897 bytes.
Dumping objects ->
{3835569} normal block at 0x000001EC5D230C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001EC5D230A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001EC5D230D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001EC5D230CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001EC5D230E60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001EC5D329430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001EC5B66DF30, 235 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) : {3835480} normal block at 0x000001EC5B67E200, 8 bytes long.
 Data: <  &#170;[&#236;   > 00 00 AA 5B EC 01 00 00 
{3834703} normal block at 0x000001EC5B66E080, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001EC5B67EA20, 8 bytes long.
 Data: <&#224;&#229;u[&#236;   > E0 E5 75 5B EC 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EC5B680450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EC5B66F120, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EC5B684CA0, 16 bytes long.
 Data: < Xh[&#236;           > 98 58 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EC5B684430, 16 bytes long.
 Data: <pXh[&#236;           > 70 58 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EC5B67F100, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EC5B684FC0, 16 bytes long.
 Data: <HXh[&#236;           > 48 58 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EC5B684250, 16 bytes long.
 Data: < Xh[&#236;           > 20 58 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EC5B6843E0, 16 bytes long.
 Data: <&#248;Wh[&#236;           > F8 57 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EC5B684660, 16 bytes long.
 Data: <&#208;Wh[&#236;           > D0 57 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EC5B66C570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EC5B6841B0, 16 bytes long.
 Data: < &#180;f[&#236;           > 08 B4 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EC5B67F040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EC5B684ED0, 16 bytes long.
 Data: <&#224;&#179;f[&#236;           > E0 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EC5B684C00, 16 bytes long.
 Data: <&#184;&#179;f[&#236;           > B8 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EC5B684BB0, 16 bytes long.
 Data: < &#179;f[&#236;           > 90 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EC5B684F70, 16 bytes long.
 Data: <h&#179;f[&#236;           > 68 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EC5B684B60, 16 bytes long.
 Data: <@&#179;f[&#236;           > 40 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EC5B684D40, 16 bytes long.
 Data: < &#179;f[&#236;           > 18 B3 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EC5B67F5E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001EC5B684C50, 16 bytes long.
 Data: <&#240;&#178;f[&#236;           > F0 B2 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EC5B66B2F0, 320 bytes long.
 Data: <PLh[&#236;   &#224;&#245;g[&#236;   > 50 4C 68 5B EC 01 00 00 E0 F5 67 5B EC 01 00 00 
{273} normal block at 0x000001EC5B684F20, 16 bytes long.
 Data: <&#176;Wh[&#236;           > B0 57 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EC5B684DE0, 16 bytes long.
 Data: < Wh[&#236;           > 88 57 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EC5B67F7C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EC5B6844D0, 16 bytes long.
 Data: <`Wh[&#236;           > 60 57 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EC5B67F820, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EC5B684E30, 16 bytes long.
 Data: <&#168;Vh[&#236;           > A8 56 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EC5B6850B0, 16 bytes long.
 Data: < Vh[&#236;           > 80 56 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EC5B6849D0, 16 bytes long.
 Data: <XVh[&#236;           > 58 56 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EC5B684840, 16 bytes long.
 Data: <0Vh[&#236;           > 30 56 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EC5B6847F0, 16 bytes long.
 Data: < Vh[&#236;           > 08 56 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EC5B6845C0, 16 bytes long.
 Data: <&#224;Uh[&#236;           > E0 55 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EC5B684B10, 16 bytes long.
 Data: <&#224;&#197;f[&#236;           > E0 C5 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EC5B66C5E0, 40 bytes long.
 Data: < Kh[&#236;   0&#148;2]&#236;   > 10 4B 68 5B EC 01 00 00 30 94 32 5D EC 01 00 00 
{259} normal block at 0x000001EC5B6847A0, 16 bytes long.
 Data: <&#192;Uh[&#236;           > C0 55 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EC5B684750, 16 bytes long.
 Data: < Uh[&#236;           > 98 55 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EC5B67FBE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EC5B684200, 16 bytes long.
 Data: <pUh[&#236;           > 70 55 68 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EC5B685570, 992 bytes long.
 Data: < Bh[&#236;   &#224;&#251;g[&#236;   > 00 42 68 5B EC 01 00 00 E0 FB 67 5B EC 01 00 00 
{91} normal block at 0x000001EC5B67F220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EC5B67E840, 16 bytes long.
 Data: <0&#219;f[&#236;           > 30 DB 66 5B EC 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EC5B66DB30, 40 bytes long.
 Data: <@&#232;g[&#236;    &#242;g[&#236;   > 40 E8 67 5B EC 01 00 00 20 F2 67 5B EC 01 00 00 
{68} normal block at 0x000001EC5B67E340, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EC5B67E2A0, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EC5B67EB60, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EC5B67E1B0, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EC5B67E110, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EC5B67DF30, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EC5B67DEE0, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EC5B67E570, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EC5B67E0C0, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EC5B67E610, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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