Task 38674005

Name test_371-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND9677_0
Workunit 31616057
Created 26 Oct 2026, 4:02:55 UTC
Sent 26 Oct 2026, 4:03:08 UTC
Report deadline 31 Oct 2026, 4:03:08 UTC
Received 26 Oct 2026, 4:38:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 34 min 34 sec
CPU time 32 min 5 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 718.78 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:04:18 (90476): wrapper (7.9.26016): starting
05:04:18 (90476): 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
05:04:19 (90476): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:04:19 (90476): 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
05:37:52 (90476): C:/Windows/system32/cmd.exe exited; CPU time 1925.765625
05:37:52 (90476): 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: 51129755 bytes.
Dumping objects ->
{3835230} normal block at 0x0000029865960BA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000298659604A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000029865960820, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x0000029865960580, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x0000029865960430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x0000029863CDC550, 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) : {3835142} normal block at 0x0000029863CB0CB0, 8 bytes long.
 Data: <  &#199;c    > 00 00 C7 63 98 02 00 00 
{3833989} normal block at 0x0000029863CB0DA0, 8 bytes long.
 Data: <&#208; &#202;c    > D0 04 CA 63 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x0000029863CA8600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x0000029863CA95B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x0000029863CB8C10, 16 bytes long.
 Data: <  &#203;c            > 08 99 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000029863CB8670, 16 bytes long.
 Data: <&#224; &#203;c            > E0 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000029863CB1E10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x0000029863CB8A80, 16 bytes long.
 Data: <&#184; &#203;c            > B8 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000029863CB8E90, 16 bytes long.
 Data: <  &#203;c            > 90 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000029863CB8A30, 16 bytes long.
 Data: <h &#203;c            > 68 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000029863CB8FD0, 16 bytes long.
 Data: <@ &#203;c            > 40 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000029863CB6810, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x0000029863CB9110, 16 bytes long.
 Data: <  &#202;c            > 98 15 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000029863CB1DB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x0000029863CB8990, 16 bytes long.
 Data: <p &#202;c            > 70 15 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000029863CB8620, 16 bytes long.
 Data: <H &#202;c            > 48 15 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029863CB94D0, 16 bytes long.
 Data: <  &#202;c            > 20 15 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029863CB9480, 16 bytes long.
 Data: <&#248; &#202;c            > F8 14 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000029863CB9430, 16 bytes long.
 Data: <&#208; &#202;c            > D0 14 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029863CB89E0, 16 bytes long.
 Data: <&#168; &#202;c            > A8 14 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029863CB1870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x0000029863CB8BC0, 16 bytes long.
 Data: <  &#202;c            > 80 14 CA 63 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029863CA1480, 320 bytes long.
 Data: <&#192;&#139;&#203;c    p &#203;c    > C0 8B CB 63 98 02 00 00 70 18 CB 63 98 02 00 00 
{290} normal block at 0x0000029863CB9520, 16 bytes long.
 Data: <  &#203;c            > 20 98 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029863CB8F30, 16 bytes long.
 Data: <&#248;&#151;&#203;c            > F8 97 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000029863CB1CF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x0000029863CB91B0, 16 bytes long.
 Data: <&#208;&#151;&#203;c            > D0 97 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029863CB1F90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x0000029863CB9070, 16 bytes long.
 Data: < &#151;&#203;c            > 18 97 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029863CB9160, 16 bytes long.
 Data: <&#240;&#150;&#203;c            > F0 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029863CB8710, 16 bytes long.
 Data: <&#200;&#150;&#203;c            > C8 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029863CB88F0, 16 bytes long.
 Data: <&#160;&#150;&#203;c            > A0 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029863CB9250, 16 bytes long.
 Data: <x&#150;&#203;c            > 78 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000029863CB8B70, 16 bytes long.
 Data: <P&#150;&#203;c            > 50 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029863CB93E0, 16 bytes long.
 Data: <&#208;i&#203;c            > D0 69 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029863CB69D0, 40 bytes long.
 Data: <&#224;&#147;&#203;c    P&#197;&#205;c    > E0 93 CB 63 98 02 00 00 50 C5 CD 63 98 02 00 00 
{276} normal block at 0x0000029863CB9570, 16 bytes long.
 Data: <0&#150;&#203;c            > 30 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000029863CB9390, 16 bytes long.
 Data: < &#150;&#203;c            > 08 96 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029863CB2410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x0000029863CB8B20, 16 bytes long.
 Data: <&#224;&#149;&#203;c            > E0 95 CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029863CB95E0, 992 bytes long.
 Data: < &#139;&#203;c     $&#203;c    > 20 8B CB 63 98 02 00 00 10 24 CB 63 98 02 00 00 
{108} normal block at 0x0000029863CB16F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x0000029863CB1480, 16 bytes long.
 Data: <pl&#203;c            > 70 6C CB 63 98 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x0000029863CB6C70, 40 bytes long.
 Data: <  &#203;c    &#240; &#203;c    > 80 14 CB 63 98 02 00 00 F0 16 CB 63 98 02 00 00 
{85} normal block at 0x0000029863CB0B70, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000029863CB10C0, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000029863CB0A30, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000029863CB12A0, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000029863CB0F80, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000029863CB0B20, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000029863CB1160, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000029863CB1200, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000029863CB0BC0, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000029863CB0620, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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