Task 38678842

Name test_823-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6152_0
Workunit 31620647
Created 26 Oct 2026, 18:40:22 UTC
Sent 26 Oct 2026, 18:40:25 UTC
Report deadline 31 Oct 2026, 18:40:25 UTC
Received 26 Oct 2026, 19:16:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 36 min 2 sec
CPU time 32 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.81 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:41:41 (61308): wrapper (7.9.26016): starting
19:41:41 (61308): 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
19:41:42 (61308): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:41:42 (61308): 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\0\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\0\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
20:16:37 (61308): C:/Windows/system32/cmd.exe exited; CPU time 1970.984375
20:16:37 (61308): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 55477457 bytes.
Dumping objects ->
{3835228} normal block at 0x000001326278DF00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001326278DE90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001326278E9F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x000001326278DFE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000001326278E830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x000001326278AA10, 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) : {3835140} normal block at 0x0000013260A10850, 8 bytes long.
 Data: <  &#247;`2   > 00 00 F7 60 32 01 00 00 
{3833987} normal block at 0x0000013260A10F30, 8 bytes long.
 Data: < &#242;&#159;`2   > 00 F2 9F 60 32 01 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000013260A08760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000013260A09D20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000013260A19180, 16 bytes long.
 Data: <H&#151;&#161;`2           > 48 97 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000013260A18B90, 16 bytes long.
 Data: < &#151;&#161;`2           > 20 97 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000013260A12020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000013260A185F0, 16 bytes long.
 Data: <&#248;&#150;&#161;`2           > F8 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000013260A18500, 16 bytes long.
 Data: <&#208;&#150;&#161;`2           > D0 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000013260A18C30, 16 bytes long.
 Data: <&#168;&#150;&#161;`2           > A8 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000013260A18820, 16 bytes long.
 Data: < &#150;&#161;`2           > 80 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000013260A16B90, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000013260A191D0, 16 bytes long.
 Data: <&#216; &#160;`2           > D8 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000013260A11A20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000013260A18D70, 16 bytes long.
 Data: <&#176; &#160;`2           > B0 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013260A18B40, 16 bytes long.
 Data: <  &#160;`2           > 88 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013260A18AA0, 16 bytes long.
 Data: <` &#160;`2           > 60 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013260A190E0, 16 bytes long.
 Data: <8 &#160;`2           > 38 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013260A186E0, 16 bytes long.
 Data: <  &#160;`2           > 10 14 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013260A19310, 16 bytes long.
 Data: <&#232; &#160;`2           > E8 13 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013260A11900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000013260A18A50, 16 bytes long.
 Data: <&#192; &#160;`2           > C0 13 A0 60 32 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013260A013C0, 320 bytes long.
 Data: <P&#138;&#161;`2     &#161;`2   > 50 8A A1 60 32 01 00 00 00 19 A1 60 32 01 00 00 
{289} normal block at 0x0000013260A18460, 16 bytes long.
 Data: <`&#150;&#161;`2           > 60 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013260A18690, 16 bytes long.
 Data: <8&#150;&#161;`2           > 38 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013260A12380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000013260A18910, 16 bytes long.
 Data: < &#150;&#161;`2           > 10 96 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013260A11780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000013260A18640, 16 bytes long.
 Data: <X&#149;&#161;`2           > 58 95 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013260A18D20, 16 bytes long.
 Data: <0&#149;&#161;`2           > 30 95 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013260A18A00, 16 bytes long.
 Data: < &#149;&#161;`2           > 08 95 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013260A18870, 16 bytes long.
 Data: <&#224;&#148;&#161;`2           > E0 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013260A18960, 16 bytes long.
 Data: <&#184;&#148;&#161;`2           > B8 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013260A18F00, 16 bytes long.
 Data: < &#148;&#161;`2           > 90 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013260A19130, 16 bytes long.
 Data: < h&#161;`2           > 10 68 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013260A16810, 40 bytes long.
 Data: <0&#145;&#161;`2    &#170;xb2   > 30 91 A1 60 32 01 00 00 10 AA 78 62 32 01 00 00 
{275} normal block at 0x0000013260A189B0, 16 bytes long.
 Data: <p&#148;&#161;`2           > 70 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013260A185A0, 16 bytes long.
 Data: <H&#148;&#161;`2           > 48 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013260A11BA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000013260A19040, 16 bytes long.
 Data: < &#148;&#161;`2           > 20 94 A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013260A19420, 992 bytes long.
 Data: <@ &#161;`2   &#160; &#161;`2   > 40 90 A1 60 32 01 00 00 A0 1B A1 60 32 01 00 00 
{107} normal block at 0x0000013260A11A80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000013260A10800, 16 bytes long.
 Data: <@j&#161;`2           > 40 6A A1 60 32 01 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000013260A16A40, 40 bytes long.
 Data: <  &#161;`2     &#161;`2   > 00 08 A1 60 32 01 00 00 80 1A A1 60 32 01 00 00 
{84} normal block at 0x0000013260A107B0, 16 bytes long.
 Data: < &#234;Ls&#247;           > 80 EA 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000013260A109E0, 16 bytes long.
 Data: <@&#233;Ls&#247;           > 40 E9 4C 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000013260A10710, 16 bytes long.
 Data: <&#248;WIs&#247;           > F8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000013260A108A0, 16 bytes long.
 Data: <&#216;WIs&#247;           > D8 57 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000013260A10E90, 16 bytes long.
 Data: <P Is&#247;           > 50 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000013260A10A30, 16 bytes long.
 Data: <0 Is&#247;           > 30 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000013260A11160, 16 bytes long.
 Data: <&#224; Is&#247;           > E0 02 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000013260A113E0, 16 bytes long.
 Data: <  Is&#247;           > 10 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000013260A10580, 16 bytes long.
 Data: <p Is&#247;           > 70 04 49 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000013260A10C60, 16 bytes long.
 Data: < &#192;Gs&#247;           > 18 C0 47 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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