Task 38679678

Name test_420-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND9670_0
Workunit 31621444
Created 26 Oct 2026, 21:23:02 UTC
Sent 26 Oct 2026, 21:23:07 UTC
Report deadline 31 Oct 2026, 21:23:07 UTC
Received 26 Oct 2026, 21:55:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 28 min 4 sec
CPU time 26 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.34 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:25:05 (16620): wrapper (7.9.26016): starting
17:25:05 (16620): 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
17:25:07 (16620): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:25:07 (16620): 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\1\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\1\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
17:52:09 (16620): C:/Windows/system32/cmd.exe exited; CPU time 1578.515625
17:52:09 (16620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 24696769 bytes.
Dumping objects ->
{3835280} normal block at 0x000001C3BD914870, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x000001C3BD9148E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x000001C3BD914800, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x000001C3BD914790, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001C3BD914640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x000001C3BF653F60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x000001C3BD96DA30, 140 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) : {3835191} normal block at 0x000001C3BD90ECF0, 8 bytes long.
 Data: <  &#138;&#189;&#195;   > 00 00 8A BD C3 01 00 00 
{3834567} normal block at 0x000001C3BD96D6F0, 140 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 0x000001C3BD90F100, 8 bytes long.
 Data: <&#192;Gn&#191;&#195;   > C0 47 6E BF C3 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001C3BD910770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C3BD9061B0, 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 0x000001C3BD916210, 16 bytes long.
 Data: < U&#145;&#189;&#195;           > 88 55 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C3BD916170, 16 bytes long.
 Data: <`U&#145;&#189;&#195;           > 60 55 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C3BD90FC60, 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 0x000001C3BD915860, 16 bytes long.
 Data: <8U&#145;&#189;&#195;           > 38 55 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C3BD916120, 16 bytes long.
 Data: < U&#145;&#189;&#195;           > 10 55 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C3BD915900, 16 bytes long.
 Data: <&#232;T&#145;&#189;&#195;           > E8 54 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C3BD915770, 16 bytes long.
 Data: <&#192;T&#145;&#189;&#195;           > C0 54 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C3BD914AA0, 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 0x000001C3BD916580, 16 bytes long.
 Data: <   &#189;&#195;           > 18 8F 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C3BD910200, 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 0x000001C3BD915FE0, 16 bytes long.
 Data: <&#240;&#142; &#189;&#195;           > F0 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C3BD915F40, 16 bytes long.
 Data: <&#200;&#142; &#189;&#195;           > C8 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C3BD9159F0, 16 bytes long.
 Data: <&#160;&#142; &#189;&#195;           > A0 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C3BD9163F0, 16 bytes long.
 Data: <x&#142; &#189;&#195;           > 78 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C3BD915D60, 16 bytes long.
 Data: <P&#142; &#189;&#195;           > 50 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C3BD9157C0, 16 bytes long.
 Data: <(&#142; &#189;&#195;           > 28 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C3BD90FBA0, 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 0x000001C3BD915720, 16 bytes long.
 Data: < &#142; &#189;&#195;           > 00 8E 90 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C3BD908E00, 320 bytes long.
 Data: < W&#145;&#189;&#195;   &#160;&#251; &#189;&#195;   > 20 57 91 BD C3 01 00 00 A0 FB 90 BD C3 01 00 00 
{273} normal block at 0x000001C3BD9160D0, 16 bytes long.
 Data: <&#160;T&#145;&#189;&#195;           > A0 54 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C3BD9165D0, 16 bytes long.
 Data: <xT&#145;&#189;&#195;           > 78 54 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C3BD90F960, 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 0x000001C3BD915810, 16 bytes long.
 Data: <PT&#145;&#189;&#195;           > 50 54 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C3BD9100E0, 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 0x000001C3BD915D10, 16 bytes long.
 Data: < S&#145;&#189;&#195;           > 98 53 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C3BD9156D0, 16 bytes long.
 Data: <pS&#145;&#189;&#195;           > 70 53 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C3BD915EF0, 16 bytes long.
 Data: <HS&#145;&#189;&#195;           > 48 53 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C3BD915AE0, 16 bytes long.
 Data: < S&#145;&#189;&#195;           > 20 53 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C3BD916620, 16 bytes long.
 Data: <&#248;R&#145;&#189;&#195;           > F8 52 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C3BD90EF70, 16 bytes long.
 Data: <&#208;R&#145;&#189;&#195;           > D0 52 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C3BD90EF20, 16 bytes long.
 Data: < G&#145;&#189;&#195;           > 20 47 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C3BD914720, 40 bytes long.
 Data: < &#239; &#189;&#195;   `?e&#191;&#195;   > 20 EF 90 BD C3 01 00 00 60 3F 65 BF C3 01 00 00 
{259} normal block at 0x000001C3BD90EDE0, 16 bytes long.
 Data: <&#176;R&#145;&#189;&#195;           > B0 52 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C3BD90EA70, 16 bytes long.
 Data: < R&#145;&#189;&#195;           > 88 52 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C3BD90FAE0, 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 0x000001C3BD90E7A0, 16 bytes long.
 Data: <`R&#145;&#189;&#195;           > 60 52 91 BD C3 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C3BD915260, 992 bytes long.
 Data: <&#160;&#231; &#189;&#195;   &#224;&#250; &#189;&#195;   > A0 E7 90 BD C3 01 00 00 E0 FA 90 BD C3 01 00 00 
{91} normal block at 0x000001C3BD90FA80, 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 0x000001C3BD90F330, 16 bytes long.
 Data: <P&#220; &#189;&#195;           > 50 DC 8F BD C3 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001C3BD8FDC50, 40 bytes long.
 Data: <0&#243; &#189;&#195;    &#250; &#189;&#195;   > 30 F3 90 BD C3 01 00 00 80 FA 90 BD C3 01 00 00 
{68} normal block at 0x000001C3BD90E660, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C3BD90E4D0, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C3BD90E7F0, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C3BD90E5C0, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C3BD90E700, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C3BD90F380, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C3BD90ECA0, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C3BD90E9D0, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C3BD90F1A0, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C3BD90E890, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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