Task 38682659

Name test_531-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND2848_0
Workunit 31624256
Created 27 Oct 2026, 8:33:54 UTC
Sent 27 Oct 2026, 8:33:59 UTC
Report deadline 1 Nov 2026, 8:33:59 UTC
Received 27 Oct 2026, 9:55:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 600624
Run time 45 min 35 sec
CPU time 42 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,602.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.67 MB
Peak swap size 12.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:11:03 (11812): wrapper (7.9.26016): starting
04:11:03 (11812): 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
04:11:05 (11812): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:11:05 (11812): 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 'D:\ProgramData\BOINC\slots\5\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 'D:\ProgramData\BOINC\slots\5\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
04:54:49 (11812): C:/Windows/system32/cmd.exe exited; CPU time 2564.046875
04:54:49 (11812): called boinc_finish(0)
0 bytes in 0 Free Blocks.
532 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 49501989 bytes.
Dumping objects ->
{3835254} normal block at 0x0000022826D60C30, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000022826D60F40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x0000022826D61170, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835221} normal block at 0x0000022826D61100, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000022826D60D10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835179} normal block at 0x0000022826C8BC10, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835168} normal block at 0x000002282504E3B0, 138 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) : {3835165} normal block at 0x00000228250012B0, 8 bytes long.
 Data: <  &#163;&(   > 00 00 A3 26 28 02 00 00 
{3834552} normal block at 0x000002282504E890, 138 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000022825001170, 8 bytes long.
 Data: < &#230; %(   > 90 E6 0D 25 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000022825002F10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022824FEA4C0, 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 0x0000022824FF9160, 16 bytes long.
 Data: <xB %(           > 78 42 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022824FF95C0, 16 bytes long.
 Data: <PB %(           > 50 42 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022824FFED70, 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 0x0000022824FF8EE0, 16 bytes long.
 Data: <(B %(           > 28 42 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022824FF8E40, 16 bytes long.
 Data: < B %(           > 00 42 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022824FF8C60, 16 bytes long.
 Data: <&#216;A %(           > D8 41 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022824FF8BC0, 16 bytes long.
 Data: <&#176;A %(           > B0 41 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022824FFD5B0, 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 0x0000022824FF92F0, 16 bytes long.
 Data: <&#184;[&#254;$(           > B8 5B FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022824FFF1F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000022824FF91B0, 16 bytes long.
 Data: < [&#254;$(           > 90 5B FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022824FF9390, 16 bytes long.
 Data: <h[&#254;$(           > 68 5B FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022824FF8B70, 16 bytes long.
 Data: <@[&#254;$(           > 40 5B FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022824FF9110, 16 bytes long.
 Data: < [&#254;$(           > 18 5B FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000228250010D0, 16 bytes long.
 Data: <&#240;Z&#254;$(           > F0 5A FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022825001080, 16 bytes long.
 Data: <&#200;Z&#254;$(           > C8 5A FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022824FFF190, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000022825000DB0, 16 bytes long.
 Data: <&#160;Z&#254;$(           > A0 5A FE 24 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022824FE5AA0, 320 bytes long.
 Data: <&#176;  %(    &#241;&#255;$(   > B0 0D 00 25 28 02 00 00 90 F1 FF 24 28 02 00 00 
{268} normal block at 0x0000022825001490, 16 bytes long.
 Data: < A %(           > 90 41 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022825001030, 16 bytes long.
 Data: <hA %(           > 68 41 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022824FFED10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000228250013A0, 16 bytes long.
 Data: <@A %(           > 40 41 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022824FFF130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000022825001260, 16 bytes long.
 Data: < @ %(           > 88 40 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022825000F90, 16 bytes long.
 Data: <`@ %(           > 60 40 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022825001440, 16 bytes long.
 Data: <8@ %(           > 38 40 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022825000F40, 16 bytes long.
 Data: < @ %(           > 10 40 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022825000FE0, 16 bytes long.
 Data: <&#232;? %(           > E8 3F 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000022825000EF0, 16 bytes long.
 Data: <&#192;? %(           > C0 3F 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000022825001210, 16 bytes long.
 Data: <&#240;&#218;&#255;$(           > F0 DA FF 24 28 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000022824FFDAF0, 40 bytes long.
 Data: <   %(    &#188;&#200;&(   > 10 12 00 25 28 02 00 00 10 BC C8 26 28 02 00 00 
{254} normal block at 0x00000228250013F0, 16 bytes long.
 Data: <&#160;? %(           > A0 3F 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000228250011C0, 16 bytes long.
 Data: <x? %(           > 78 3F 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000022824FFEAD0, 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 0x0000022825001350, 16 bytes long.
 Data: <P? %(           > 50 3F 00 25 28 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000022825003F50, 992 bytes long.
 Data: <P  %(   &#208;&#234;&#255;$(   > 50 13 00 25 28 02 00 00 D0 EA FF 24 28 02 00 00 
{86} normal block at 0x0000022824FFF4F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000022824FF8990, 16 bytes long.
 Data: < &#214;&#255;$(           > 20 D6 FF 24 28 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000022824FFD620, 40 bytes long.
 Data: < &#137;&#255;$(   &#240;&#244;&#255;$(   > 90 89 FF 24 28 02 00 00 F0 F4 FF 24 28 02 00 00 
{63} normal block at 0x0000022824FF92A0, 16 bytes long.
 Data: < &#234;&#204;&#154;&#247;           > 80 EA CC 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000022824FF9020, 16 bytes long.
 Data: <@&#233;&#204;&#154;&#247;           > 40 E9 CC 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000022824FF9570, 16 bytes long.
 Data: <&#248;W&#201;&#154;&#247;           > F8 57 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000022824FF87B0, 16 bytes long.
 Data: <&#216;W&#201;&#154;&#247;           > D8 57 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000022824FF8760, 16 bytes long.
 Data: <P &#201;&#154;&#247;           > 50 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000022824FF8FD0, 16 bytes long.
 Data: <0 &#201;&#154;&#247;           > 30 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000022824FF88A0, 16 bytes long.
 Data: <&#224; &#201;&#154;&#247;           > E0 02 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000022824FF8800, 16 bytes long.
 Data: <  &#201;&#154;&#247;           > 10 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000022824FF8710, 16 bytes long.
 Data: <p &#201;&#154;&#247;           > 70 04 C9 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000022824FF9340, 16 bytes long.
 Data: < &#192;&#199;&#154;&#247;           > 18 C0 C7 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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