Task 38694592

Name test_599-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND0540_0
Workunit 31635333
Created 30 Oct 2026, 23:51:24 UTC
Sent 30 Oct 2026, 23:51:28 UTC
Report deadline 4 Nov 2026, 23:51:28 UTC
Received 31 Oct 2026, 0:49:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 56 min 21 sec
CPU time 51 min 6 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 639.61 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
00:53:28 (12272): wrapper (7.9.26016): starting
00:53:28 (12272): 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
00:53:31 (12272): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:31 (12272): 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
01:48:02 (12272): C:/Windows/system32/cmd.exe exited; CPU time 3066.140625
01:48:02 (12272): 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: 37179559 bytes.
Dumping objects ->
{3835245} normal block at 0x000001EF246F1EC0, 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 0x000001EF246F1520, 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 0x000001EF246F1600, 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 0x000001EF246F1910, 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 0x000001EF246F1440, 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 0x000001EF247E2A60, 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 0x000001EF22D11070, 8 bytes long.
 Data: <  ]$&#239;   > 00 00 5D 24 EF 01 00 00 
{3833945} normal block at 0x000001EF22D11020, 8 bytes long.
 Data: <  &#132;$&#239;   > 80 04 84 24 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001EF22D11790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF22CFA200, 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 0x000001EF22D06E80, 16 bytes long.
 Data: <&#248;*&#209;"&#239;           > F8 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF22D06E30, 16 bytes long.
 Data: <&#208;*&#209;"&#239;           > D0 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EF22D0CF00, 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 0x000001EF22D06F70, 16 bytes long.
 Data: <&#168;*&#209;"&#239;           > A8 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EF22D071F0, 16 bytes long.
 Data: < *&#209;"&#239;           > 80 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EF22D070B0, 16 bytes long.
 Data: <X*&#209;"&#239;           > 58 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF22D06DE0, 16 bytes long.
 Data: <0*&#209;"&#239;           > 30 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EF22D0BC10, 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 0x000001EF22D06D40, 16 bytes long.
 Data: <&#232;&#202;&#207;"&#239;           > E8 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF22D0D680, 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 0x000001EF22D06BB0, 16 bytes long.
 Data: <&#192;&#202;&#207;"&#239;           > C0 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EF22D06C00, 16 bytes long.
 Data: < &#202;&#207;"&#239;           > 98 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF22D06B60, 16 bytes long.
 Data: <p&#202;&#207;"&#239;           > 70 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EF22D076F0, 16 bytes long.
 Data: <H&#202;&#207;"&#239;           > 48 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF22D11660, 16 bytes long.
 Data: < &#202;&#207;"&#239;           > 20 CA CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF22D116B0, 16 bytes long.
 Data: <&#248;&#201;&#207;"&#239;           > F8 C9 CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EF22D0D380, 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 0x000001EF22D11610, 16 bytes long.
 Data: <&#208;&#201;&#207;"&#239;           > D0 C9 CF 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EF22CFC9D0, 320 bytes long.
 Data: <  &#209;"&#239;    &#211;&#208;"&#239;   > 10 16 D1 22 EF 01 00 00 80 D3 D0 22 EF 01 00 00 
{268} normal block at 0x000001EF22D10FD0, 16 bytes long.
 Data: < *&#209;"&#239;           > 10 2A D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EF22D115C0, 16 bytes long.
 Data: <&#232;)&#209;"&#239;           > E8 29 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF22D0D1A0, 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 0x000001EF22D114D0, 16 bytes long.
 Data: <&#192;)&#209;"&#239;           > C0 29 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF22D0D080, 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 0x000001EF22D11250, 16 bytes long.
 Data: < )&#209;"&#239;           > 08 29 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EF22D11700, 16 bytes long.
 Data: <&#224;(&#209;"&#239;           > E0 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EF22D11520, 16 bytes long.
 Data: <&#184;(&#209;"&#239;           > B8 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EF22D111B0, 16 bytes long.
 Data: < (&#209;"&#239;           > 90 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EF22D11160, 16 bytes long.
 Data: <h(&#209;"&#239;           > 68 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EF22D113E0, 16 bytes long.
 Data: <@(&#209;"&#239;           > 40 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EF22D11480, 16 bytes long.
 Data: <&#160;&#187;&#208;"&#239;           > A0 BB D0 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EF22D0BBA0, 40 bytes long.
 Data: <  &#209;"&#239;   `*~$&#239;   > 80 14 D1 22 EF 01 00 00 60 2A 7E 24 EF 01 00 00 
{254} normal block at 0x000001EF22D11570, 16 bytes long.
 Data: < (&#209;"&#239;           > 20 28 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001EF22D11430, 16 bytes long.
 Data: <&#248;'&#209;"&#239;           > F8 27 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001EF22D0D260, 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 0x000001EF22D110C0, 16 bytes long.
 Data: <&#208;'&#209;"&#239;           > D0 27 D1 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001EF22D127D0, 992 bytes long.
 Data: <&#192; &#209;"&#239;   `&#210;&#208;"&#239;   > C0 10 D1 22 EF 01 00 00 60 D2 D0 22 EF 01 00 00 
{86} normal block at 0x000001EF22D0CFC0, 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 0x000001EF22D07650, 16 bytes long.
 Data: < &#184;&#208;"&#239;           > 20 B8 D0 22 EF 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001EF22D0B820, 40 bytes long.
 Data: <Pv&#208;"&#239;   &#192;&#207;&#208;"&#239;   > 50 76 D0 22 EF 01 00 00 C0 CF D0 22 EF 01 00 00 
{63} normal block at 0x000001EF22D06C50, 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 0x000001EF22D077E0, 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 0x000001EF22D06F20, 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 0x000001EF22D069D0, 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 0x000001EF22D07510, 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 0x000001EF22D06D90, 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 0x000001EF22D07150, 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 0x000001EF22D07290, 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 0x000001EF22D074C0, 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 0x000001EF22D07470, 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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