Task 38678254

Name test_966-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8701_0
Workunit 31620084
Created 26 Oct 2026, 16:51:10 UTC
Sent 26 Oct 2026, 16:51:13 UTC
Report deadline 31 Oct 2026, 16:51:13 UTC
Received 26 Oct 2026, 17:27:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 36 min 16 sec
CPU time 32 min 49 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 724.48 MB
Peak swap size 9.88 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:52:39 (21048): wrapper (7.9.26016): starting
17:52:39 (21048): 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
17:52:41 (21048): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:52:41 (21048): 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
18:27:40 (21048): C:/Windows/system32/cmd.exe exited; CPU time 1969.437500
18:27:40 (21048): 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: 55539309 bytes.
Dumping objects ->
{3835228} normal block at 0x0000021287551950, 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 0x0000021287551E20, 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 0x0000021287551FE0, 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 0x0000021287551B80, 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 0x0000021287551E90, 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 0x000002128577E480, 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 0x00000212856A5160, 8 bytes long.
 Data: <  &#212;&#133;    > 00 00 D4 85 12 02 00 00 
{3833987} normal block at 0x00000212856A5570, 8 bytes long.
 Data: <`&#159;X&#135;    > 60 9F 58 87 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000021285699410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x000002128569A210, 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 0x00000212856AB980, 16 bytes long.
 Data: < &#194;j&#133;            > 18 C2 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000212856AB8E0, 16 bytes long.
 Data: <&#240;&#193;j&#133;            > F0 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x00000212856A1510, 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 0x00000212856AB4D0, 16 bytes long.
 Data: <&#200;&#193;j&#133;            > C8 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000212856AB890, 16 bytes long.
 Data: <&#160;&#193;j&#133;            > A0 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000212856ABC50, 16 bytes long.
 Data: <x&#193;j&#133;            > 78 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000212856AB390, 16 bytes long.
 Data: <P&#193;j&#133;            > 50 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000212856A9AD0, 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 0x00000212856AB840, 16 bytes long.
 Data: <&#232; i&#133;            > E8 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000212856A1C90, 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 0x00000212856AB750, 16 bytes long.
 Data: <&#192; i&#133;            > C0 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000212856AB250, 16 bytes long.
 Data: <  i&#133;            > 98 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000212856AB930, 16 bytes long.
 Data: <p i&#133;            > 70 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000212856AB070, 16 bytes long.
 Data: <H i&#133;            > 48 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000212856ABBB0, 16 bytes long.
 Data: <  i&#133;            > 20 08 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000212856AAFD0, 16 bytes long.
 Data: <&#248; i&#133;            > F8 07 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000212856A14B0, 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 0x00000212856AAF80, 16 bytes long.
 Data: <&#208; i&#133;            > D0 07 69 85 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212856907D0, 320 bytes long.
 Data: < &#175;j&#133;    &#176; j&#133;    > 80 AF 6A 85 12 02 00 00 B0 14 6A 85 12 02 00 00 
{289} normal block at 0x00000212856AB2F0, 16 bytes long.
 Data: <0&#193;j&#133;            > 30 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212856AAF30, 16 bytes long.
 Data: < &#193;j&#133;            > 08 C1 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212856A1930, 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 0x00000212856ABE30, 16 bytes long.
 Data: <&#224;&#192;j&#133;            > E0 C0 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212856A1450, 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 0x00000212856AB660, 16 bytes long.
 Data: <(&#192;j&#133;            > 28 C0 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212856AB110, 16 bytes long.
 Data: < &#192;j&#133;            > 00 C0 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212856AB340, 16 bytes long.
 Data: <&#216;&#191;j&#133;            > D8 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212856ABCA0, 16 bytes long.
 Data: <&#176;&#191;j&#133;            > B0 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000212856ABAC0, 16 bytes long.
 Data: < &#191;j&#133;            > 88 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000212856AB160, 16 bytes long.
 Data: <`&#191;j&#133;            > 60 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212856ABDE0, 16 bytes long.
 Data: <&#240; j&#133;            > F0 99 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000212856A99F0, 40 bytes long.
 Data: <&#224;&#189;j&#133;     &#228;w&#133;    > E0 BD 6A 85 12 02 00 00 80 E4 77 85 12 02 00 00 
{275} normal block at 0x00000212856ABE80, 16 bytes long.
 Data: <@&#191;j&#133;            > 40 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000212856ABD90, 16 bytes long.
 Data: < &#191;j&#133;            > 18 BF 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212856A19F0, 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 0x00000212856AB700, 16 bytes long.
 Data: <&#240;&#190;j&#133;            > F0 BE 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212856ABEF0, 992 bytes long.
 Data: < &#183;j&#133;    &#240; j&#133;    > 00 B7 6A 85 12 02 00 00 F0 19 6A 85 12 02 00 00 
{107} normal block at 0x00000212856A1330, 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 0x00000212856A5110, 16 bytes long.
 Data: <  j&#133;            > 10 99 6A 85 12 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x00000212856A9910, 40 bytes long.
 Data: < Qj&#133;    0 j&#133;    > 10 51 6A 85 12 02 00 00 30 13 6A 85 12 02 00 00 
{84} normal block at 0x00000212856A4F30, 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 0x00000212856A5070, 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 0x00000212856A58E0, 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 0x00000212856A5020, 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 0x00000212856A5200, 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 0x00000212856A5980, 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 0x00000212856A59D0, 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 0x00000212856A57A0, 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 0x00000212856A5AC0, 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 0x00000212856A5660, 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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