Task 38669977

Name test_858-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND7155_0
Workunit 31612265
Created 25 Oct 2026, 16:06:11 UTC
Sent 25 Oct 2026, 16:06:14 UTC
Report deadline 30 Oct 2026, 16:06:14 UTC
Received 25 Oct 2026, 16:56:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617738
Run time 48 min 50 sec
CPU time 47 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 5.04 GB
Peak swap size 6.73 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:08:03 (12088): wrapper (7.9.26016): starting
11:08:03 (12088): 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
11:08:04 (12088): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:08:04 (12088): 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\3\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\3\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
11:55:54 (12088): C:/Windows/system32/cmd.exe exited; CPU time 2866.937500
11:55:54 (12088): 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: 37888177 bytes.
Dumping objects ->
{3835250} normal block at 0x0000019FB041E030, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000019FB041E0A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000019FB041DFC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000019FAE685220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000019FAE685060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000019FB046B9B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x0000019FB047F2F0, 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) : {3835161} normal block at 0x0000019FAE67DE10, 8 bytes long.
 Data: <  &#188;&#174;&#159;   > 00 00 BC AE 9F 01 00 00 
{3834554} normal block at 0x0000019FB047F5B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000019FAE67D8C0, 8 bytes long.
 Data: <&#240;TL&#176;&#159;   > F0 54 4C B0 9F 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019FAE682140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019FAE676410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000019FAE686100, 16 bytes long.
 Data: <&#184;lh&#174;&#159;           > B8 6C 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019FAE685BB0, 16 bytes long.
 Data: < lh&#174;&#159;           > 90 6C 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019FAE67FE10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000019FAE685B10, 16 bytes long.
 Data: <hlh&#174;&#159;           > 68 6C 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019FAE685E80, 16 bytes long.
 Data: <@lh&#174;&#159;           > 40 6C 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019FAE6867E0, 16 bytes long.
 Data: < lh&#174;&#159;           > 18 6C 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019FAE685E30, 16 bytes long.
 Data: <&#240;kh&#174;&#159;           > F0 6B 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019FAE6850D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000019FAE685AC0, 16 bytes long.
 Data: <&#200;&#246;f&#174;&#159;           > C8 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019FAE67FED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000019FAE6860B0, 16 bytes long.
 Data: <&#160;&#246;f&#174;&#159;           > A0 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019FAE685F20, 16 bytes long.
 Data: <x&#246;f&#174;&#159;           > 78 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019FAE686560, 16 bytes long.
 Data: <P&#246;f&#174;&#159;           > 50 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019FAE685DE0, 16 bytes long.
 Data: <(&#246;f&#174;&#159;           > 28 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019FAE6861A0, 16 bytes long.
 Data: < &#246;f&#174;&#159;           > 00 F6 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019FAE6866A0, 16 bytes long.
 Data: <&#216;&#245;f&#174;&#159;           > D8 F5 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019FAE67FAB0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{278} normal block at 0x0000019FAE686010, 16 bytes long.
 Data: <&#176;&#245;f&#174;&#159;           > B0 F5 66 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019FAE66F5B0, 320 bytes long.
 Data: < `h&#174;&#159;   &#176;&#250;g&#174;&#159;   > 10 60 68 AE 9F 01 00 00 B0 FA 67 AE 9F 01 00 00 
{276} normal block at 0x0000019FAE686920, 16 bytes long.
 Data: <&#208;kh&#174;&#159;           > D0 6B 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019FAE685A70, 16 bytes long.
 Data: <&#168;kh&#174;&#159;           > A8 6B 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019FAE67FE70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000019FAE685A20, 16 bytes long.
 Data: < kh&#174;&#159;           > 80 6B 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019FAE67F810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000019FAE6859D0, 16 bytes long.
 Data: <&#200;jh&#174;&#159;           > C8 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019FAE685C50, 16 bytes long.
 Data: <&#160;jh&#174;&#159;           > A0 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019FAE685D90, 16 bytes long.
 Data: <xjh&#174;&#159;           > 78 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019FAE685C00, 16 bytes long.
 Data: <Pjh&#174;&#159;           > 50 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019FAE685D40, 16 bytes long.
 Data: <(jh&#174;&#159;           > 28 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019FAE686600, 16 bytes long.
 Data: < jh&#174;&#159;           > 00 6A 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019FAE686790, 16 bytes long.
 Data: <pSh&#174;&#159;           > 70 53 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019FAE685370, 40 bytes long.
 Data: < gh&#174;&#159;   &#176;&#185;F&#176;&#159;   > 90 67 68 AE 9F 01 00 00 B0 B9 46 B0 9F 01 00 00 
{262} normal block at 0x0000019FAE686060, 16 bytes long.
 Data: <&#224;ih&#174;&#159;           > E0 69 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019FAE686150, 16 bytes long.
 Data: <&#184;ih&#174;&#159;           > B8 69 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019FAE67F390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000019FAE6865B0, 16 bytes long.
 Data: < ih&#174;&#159;           > 90 69 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019FAE686990, 992 bytes long.
 Data: <&#176;eh&#174;&#159;    &#243;g&#174;&#159;   > B0 65 68 AE 9F 01 00 00 90 F3 67 AE 9F 01 00 00 
{94} normal block at 0x0000019FAE67F990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000019FAE67DCD0, 16 bytes long.
 Data: < Rh&#174;&#159;           > 90 52 68 AE 9F 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019FAE685290, 40 bytes long.
 Data: <&#208;&#220;g&#174;&#159;    &#249;g&#174;&#159;   > D0 DC 67 AE 9F 01 00 00 90 F9 67 AE 9F 01 00 00 
{71} normal block at 0x0000019FAE67D780, 16 bytes long.
 Data: < &#234;&#240;&#228;&#247;           > 80 EA F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019FAE67D690, 16 bytes long.
 Data: <@&#233;&#240;&#228;&#247;           > 40 E9 F0 E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019FAE67DC30, 16 bytes long.
 Data: <&#248;W&#237;&#228;&#247;           > F8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019FAE67E130, 16 bytes long.
 Data: <&#216;W&#237;&#228;&#247;           > D8 57 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019FAE67D5F0, 16 bytes long.
 Data: <P &#237;&#228;&#247;           > 50 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019FAE67DC80, 16 bytes long.
 Data: <0 &#237;&#228;&#247;           > 30 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019FAE67E1D0, 16 bytes long.
 Data: <&#224; &#237;&#228;&#247;           > E0 02 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019FAE67E360, 16 bytes long.
 Data: <  &#237;&#228;&#247;           > 10 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019FAE67DA00, 16 bytes long.
 Data: <p &#237;&#228;&#247;           > 70 04 ED E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019FAE67DFA0, 16 bytes long.
 Data: < &#192;&#235;&#228;&#247;           > 18 C0 EB E4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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