Task 38694826

Name test_262-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7854_0
Workunit 31635555
Created 31 Oct 2026, 2:43:00 UTC
Sent 31 Oct 2026, 2:43:06 UTC
Report deadline 5 Nov 2026, 2:43:06 UTC
Received 31 Oct 2026, 4:35:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 55 min 53 sec
CPU time 50 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 634.88 MB
Peak swap size 3.83 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
04:39:51 (3288): wrapper (7.9.26016): starting
04:39:51 (3288): 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
04:39:54 (3288): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:39:54 (3288): 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\6\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\6\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
05:33:59 (3288): C:/Windows/system32/cmd.exe exited; CPU time 3037.625000
05:33:59 (3288): 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: 37282991 bytes.
Dumping objects ->
{3835245} normal block at 0x0000028A299116E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000028A29911EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000028A29911980, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000028A299112F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000028A29911830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000028A29A05A80, 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) : {3835157} normal block at 0x0000028A27EA0B70, 8 bytes long.
 Data: <  &#229;'&#138;   > 00 00 E5 27 8A 02 00 00 
{3833945} normal block at 0x0000028A27EA0B20, 8 bytes long.
 Data: <@H&#169;)&#138;   > 40 48 A9 29 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000028A27EA4490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028A27E8B1F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000028A27E98760, 16 bytes long.
 Data: <&#248;W&#234;'&#138;           > F8 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028A27E988F0, 16 bytes long.
 Data: <&#208;W&#234;'&#138;           > D0 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028A27E9EC20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000028A27E98670, 16 bytes long.
 Data: <&#168;W&#234;'&#138;           > A8 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028A27E98C60, 16 bytes long.
 Data: < W&#234;'&#138;           > 80 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028A27E98B20, 16 bytes long.
 Data: <XW&#234;'&#138;           > 58 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028A27E98620, 16 bytes long.
 Data: <0W&#234;'&#138;           > 30 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028A27E9D140, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000028A27E98580, 16 bytes long.
 Data: <&#184;&#187;&#232;'&#138;           > B8 BB E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028A27E9E800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000028A27E98850, 16 bytes long.
 Data: < &#187;&#232;'&#138;           > 90 BB E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028A27E99020, 16 bytes long.
 Data: <h&#187;&#232;'&#138;           > 68 BB E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028A27E98440, 16 bytes long.
 Data: <@&#187;&#232;'&#138;           > 40 BB E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028A27E98AD0, 16 bytes long.
 Data: < &#187;&#232;'&#138;           > 18 BB E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028A27EA0AD0, 16 bytes long.
 Data: <&#240;&#186;&#232;'&#138;           > F0 BA E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028A27EA0A80, 16 bytes long.
 Data: <&#200;&#186;&#232;'&#138;           > C8 BA E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028A27E9EFE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000028A27EA0A30, 16 bytes long.
 Data: <&#160;&#186;&#232;'&#138;           > A0 BA E8 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028A27E8BAA0, 320 bytes long.
 Data: <0 &#234;'&#138;   &#224;&#239;&#233;'&#138;   > 30 0A EA 27 8A 02 00 00 E0 EF E9 27 8A 02 00 00 
{268} normal block at 0x0000028A27EA0D50, 16 bytes long.
 Data: < W&#234;'&#138;           > 10 57 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028A27EA0760, 16 bytes long.
 Data: <&#232;V&#234;'&#138;           > E8 56 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028A27E9EB60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000028A27EA0C60, 16 bytes long.
 Data: <&#192;V&#234;'&#138;           > C0 56 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028A27E9EF20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000028A27EA09E0, 16 bytes long.
 Data: < V&#234;'&#138;           > 08 56 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028A27EA08F0, 16 bytes long.
 Data: <&#224;U&#234;'&#138;           > E0 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028A27EA0990, 16 bytes long.
 Data: <&#184;U&#234;'&#138;           > B8 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028A27EA06C0, 16 bytes long.
 Data: < U&#234;'&#138;           > 90 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028A27EA0D00, 16 bytes long.
 Data: <hU&#234;'&#138;           > 68 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028A27EA0670, 16 bytes long.
 Data: <@U&#234;'&#138;           > 40 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028A27EA0BC0, 16 bytes long.
 Data: < &#211;&#233;'&#138;           > 00 D3 E9 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028A27E9D300, 40 bytes long.
 Data: <&#192; &#234;'&#138;    Z&#160;)&#138;   > C0 0B EA 27 8A 02 00 00 80 5A A0 29 8A 02 00 00 
{254} normal block at 0x0000028A27EA0C10, 16 bytes long.
 Data: < U&#234;'&#138;           > 20 55 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000028A27EA0710, 16 bytes long.
 Data: <&#248;T&#234;'&#138;           > F8 54 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000028A27E9EDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000028A27EA08A0, 16 bytes long.
 Data: <&#208;T&#234;'&#138;           > D0 54 EA 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000028A27EA54D0, 992 bytes long.
 Data: <&#160; &#234;'&#138;   &#160;&#237;&#233;'&#138;   > A0 08 EA 27 8A 02 00 00 A0 ED E9 27 8A 02 00 00 
{86} normal block at 0x0000028A27E9E440, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000028A27E98940, 16 bytes long.
 Data: < &#207;&#233;'&#138;           > 80 CF E9 27 8A 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000028A27E9CF80, 40 bytes long.
 Data: <@&#137;&#233;'&#138;   @&#228;&#233;'&#138;   > 40 89 E9 27 8A 02 00 00 40 E4 E9 27 8A 02 00 00 
{63} normal block at 0x0000028A27E98E40, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028A27E986C0, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028A27E988A0, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028A27E983A0, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028A27E98DF0, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028A27E989E0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028A27E98D00, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028A27E98350, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000028A27E98800, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000028A27E984E0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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