Task 38682605

Name test_727-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1308_0
Workunit 31624209
Created 27 Oct 2026, 8:22:43 UTC
Sent 27 Oct 2026, 8:22:48 UTC
Report deadline 1 Nov 2026, 8:22:48 UTC
Received 27 Oct 2026, 9:17:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654060
Run time 27 min
CPU time 25 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.28 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:50:37 (53016): wrapper (7.9.26016): starting
03:50:37 (53016): 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
03:50:38 (53016): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:50:38 (53016): 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\17\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\17\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
04:16:45 (53016): C:/Windows/system32/cmd.exe exited; CPU time 1521.828125
04:16:45 (53016): 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: 40188635 bytes.
Dumping objects ->
{3835258} normal block at 0x000001F9D810CED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001F9D64147D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001F9D6414B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x000001F9D6414E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x000001F9D6414D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x000001F9D8154F20, 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) : {3835170} normal block at 0x000001F9D640ED20, 8 bytes long.
 Data: <   &#214;&#249;   > 00 00 98 D6 F9 01 00 00 
{3833959} normal block at 0x000001F9D640ECD0, 8 bytes long.
 Data: < : &#216;&#249;   > 20 3A 1B D8 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F9D6410AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F9D6406140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000001F9D64164D0, 16 bytes long.
 Data: <&#248;WA&#214;&#249;           > F8 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F9D6416480, 16 bytes long.
 Data: <&#208;WA&#214;&#249;           > D0 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F9D640FFB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000001F9D6415B70, 16 bytes long.
 Data: <&#168;WA&#214;&#249;           > A8 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F9D6415C10, 16 bytes long.
 Data: < WA&#214;&#249;           > 80 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F9D6416070, 16 bytes long.
 Data: <XWA&#214;&#249;           > 58 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F9D6416020, 16 bytes long.
 Data: <0WA&#214;&#249;           > 30 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F9D64148B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000001F9D6415FD0, 16 bytes long.
 Data: <&#232; @&#214;&#249;           > E8 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F9D640FF50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000001F9D6415F80, 16 bytes long.
 Data: <&#192; @&#214;&#249;           > C0 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F9D6415E90, 16 bytes long.
 Data: <  @&#214;&#249;           > 98 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F9D6415B20, 16 bytes long.
 Data: <p @&#214;&#249;           > 70 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F9D6415AD0, 16 bytes long.
 Data: <H @&#214;&#249;           > 48 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F9D6416750, 16 bytes long.
 Data: <  @&#214;&#249;           > 20 90 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F9D6415F30, 16 bytes long.
 Data: <&#248; @&#214;&#249;           > F8 8F 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F9D640FC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000001F9D6416700, 16 bytes long.
 Data: <&#208; @&#214;&#249;           > D0 8F 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F9D6408FD0, 320 bytes long.
 Data: < gA&#214;&#249;   P&#252;@&#214;&#249;   > 00 67 41 D6 F9 01 00 00 50 FC 40 D6 F9 01 00 00 
{275} normal block at 0x000001F9D6416430, 16 bytes long.
 Data: < WA&#214;&#249;           > 10 57 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F9D6415A80, 16 bytes long.
 Data: <&#232;VA&#214;&#249;           > E8 56 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F9D640FB90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000001F9D6415D50, 16 bytes long.
 Data: <&#192;VA&#214;&#249;           > C0 56 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F9D6410610, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000001F9D6415E40, 16 bytes long.
 Data: < VA&#214;&#249;           > 08 56 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F9D6416110, 16 bytes long.
 Data: <&#224;UA&#214;&#249;           > E0 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F9D64163E0, 16 bytes long.
 Data: <&#184;UA&#214;&#249;           > B8 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F9D6415DF0, 16 bytes long.
 Data: < UA&#214;&#249;           > 90 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F9D6415EE0, 16 bytes long.
 Data: <hUA&#214;&#249;           > 68 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F9D640EC80, 16 bytes long.
 Data: <@UA&#214;&#249;           > 40 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F9D640EBE0, 16 bytes long.
 Data: <0LA&#214;&#249;           > 30 4C 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F9D6414C30, 40 bytes long.
 Data: <&#224;&#235;@&#214;&#249;    O &#216;&#249;   > E0 EB 40 D6 F9 01 00 00 20 4F 15 D8 F9 01 00 00 
{261} normal block at 0x000001F9D640F0E0, 16 bytes long.
 Data: < UA&#214;&#249;           > 20 55 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F9D640E9B0, 16 bytes long.
 Data: <&#248;TA&#214;&#249;           > F8 54 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F9D6410550, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000001F9D640E960, 16 bytes long.
 Data: <&#208;TA&#214;&#249;           > D0 54 41 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F9D64154D0, 992 bytes long.
 Data: <`&#233;@&#214;&#249;   P A&#214;&#249;   > 60 E9 40 D6 F9 01 00 00 50 05 41 D6 F9 01 00 00 
{93} normal block at 0x000001F9D6410070, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000001F9D640EC30, 16 bytes long.
 Data: < &#231;@&#214;&#249;           > 20 E7 40 D6 F9 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000001F9D640E720, 40 bytes long.
 Data: <0&#236;@&#214;&#249;   p A&#214;&#249;   > 30 EC 40 D6 F9 01 00 00 70 00 41 D6 F9 01 00 00 
{70} normal block at 0x000001F9D640F2C0, 16 bytes long.
 Data: < &#234;&#195;D&#247;           > 80 EA C3 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F9D640EE10, 16 bytes long.
 Data: <@&#233;&#195;D&#247;           > 40 E9 C3 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F9D640F4A0, 16 bytes long.
 Data: <&#248;W&#192;D&#247;           > F8 57 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F9D640F680, 16 bytes long.
 Data: <&#216;W&#192;D&#247;           > D8 57 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F9D640EB40, 16 bytes long.
 Data: <P &#192;D&#247;           > 50 04 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F9D640EB90, 16 bytes long.
 Data: <0 &#192;D&#247;           > 30 04 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F9D640EAF0, 16 bytes long.
 Data: <&#224; &#192;D&#247;           > E0 02 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F9D640F270, 16 bytes long.
 Data: <  &#192;D&#247;           > 10 04 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F9D640F310, 16 bytes long.
 Data: <p &#192;D&#247;           > 70 04 C0 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F9D640F090, 16 bytes long.
 Data: < &#192;&#190;D&#247;           > 18 C0 BE 44 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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