Task 38674676

Name test_83-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND3919_2
Workunit 31607416
Created 26 Oct 2026, 6:01:14 UTC
Sent 26 Oct 2026, 6:01:14 UTC
Report deadline 31 Oct 2026, 6:01:14 UTC
Received 26 Oct 2026, 8:40:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630349
Run time 2 hours 34 min 20 sec
CPU time 2 hours 31 min 3 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 766.82 MB
Peak swap size 11.55 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:06:09 (3924): wrapper (7.9.26016): starting
23:06:09 (3924): 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
23:06:10 (3924): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:06:10 (3924): 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\16\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\16\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
01:39:40 (3924): C:/Windows/system32/cmd.exe exited; CPU time 9063.765625
01:39:40 (3924): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 210630553 bytes.
Dumping objects ->
{3835512} normal block at 0x00000267855A51A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x00000267855A4E90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x00000267855A53D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x00000267855A4E20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x00000267855A4DB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x00000267872D6C30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x00000267872EF100, 102 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) : {3835423} normal block at 0x000002678559F3E0, 8 bytes long.
 Data: <  S&#133;g   > 00 00 53 85 67 02 00 00 
{3834678} normal block at 0x00000267872EEE40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002678559F0C0, 8 bytes long.
 Data: <&#160;&#218;X&#133;g   > A0 DA 58 85 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002678559DB50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000267855960E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000267855A5B50, 16 bytes long.
 Data: <&#168;lZ&#133;g           > A8 6C 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000267855A5A10, 16 bytes long.
 Data: < lZ&#133;g           > 80 6C 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002678559FF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000267855A5BF0, 16 bytes long.
 Data: <XlZ&#133;g           > 58 6C 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000267855A68C0, 16 bytes long.
 Data: <0lZ&#133;g           > 30 6C 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000267855A65A0, 16 bytes long.
 Data: < lZ&#133;g           > 08 6C 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000267855A60F0, 16 bytes long.
 Data: <&#224;kZ&#133;g           > E0 6B 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000267855A4F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000267855A66E0, 16 bytes long.
 Data: <&#248;&#245;X&#133;g           > F8 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000267855A0330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000267855A5EC0, 16 bytes long.
 Data: <&#208;&#245;X&#133;g           > D0 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000267855A6820, 16 bytes long.
 Data: <&#168;&#245;X&#133;g           > A8 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000267855A6870, 16 bytes long.
 Data: < &#245;X&#133;g           > 80 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000267855A5E70, 16 bytes long.
 Data: <X&#245;X&#133;g           > 58 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000267855A59C0, 16 bytes long.
 Data: <0&#245;X&#133;g           > 30 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000267855A67D0, 16 bytes long.
 Data: < &#245;X&#133;g           > 08 F5 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000267855A0810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000267855A5E20, 16 bytes long.
 Data: <&#224;&#244;X&#133;g           > E0 F4 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002678558F4E0, 320 bytes long.
 Data: < ^Z&#133;g     Z&#133;g   > 20 5E 5A 85 67 02 00 00 10 08 5A 85 67 02 00 00 
{275} normal block at 0x00000267855A6000, 16 bytes long.
 Data: <&#192;kZ&#133;g           > C0 6B 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000267855A6050, 16 bytes long.
 Data: < kZ&#133;g           > 98 6B 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000267855A0690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000267855A62D0, 16 bytes long.
 Data: <pkZ&#133;g           > 70 6B 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000267855A0CF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000267855A64B0, 16 bytes long.
 Data: <&#184;jZ&#133;g           > B8 6A 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000267855A5DD0, 16 bytes long.
 Data: < jZ&#133;g           > 90 6A 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000267855A6460, 16 bytes long.
 Data: <hjZ&#133;g           > 68 6A 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000267855A6410, 16 bytes long.
 Data: <@jZ&#133;g           > 40 6A 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000267855A5BA0, 16 bytes long.
 Data: < jZ&#133;g           > 18 6A 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000267855A6550, 16 bytes long.
 Data: <&#240;iZ&#133;g           > F0 69 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000267855A5D80, 16 bytes long.
 Data: <&#192;PZ&#133;g           > C0 50 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000267855A50C0, 40 bytes long.
 Data: < ]Z&#133;g   0l-&#135;g   > 80 5D 5A 85 67 02 00 00 30 6C 2D 87 67 02 00 00 
{261} normal block at 0x00000267855A5D30, 16 bytes long.
 Data: <&#208;iZ&#133;g           > D0 69 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000267855A6370, 16 bytes long.
 Data: <&#168;iZ&#133;g           > A8 69 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000267855A0630, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000267855A61E0, 16 bytes long.
 Data: < iZ&#133;g           > 80 69 5A 85 67 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000267855A6980, 992 bytes long.
 Data: <&#224;aZ&#133;g   0 Z&#133;g   > E0 61 5A 85 67 02 00 00 30 06 5A 85 67 02 00 00 
{93} normal block at 0x00000267855A06F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002678559F930, 16 bytes long.
 Data: < &#232;X&#133;g           > 90 E8 58 85 67 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002678558E890, 40 bytes long.
 Data: <0&#249;Y&#133;g   &#240; Z&#133;g   > 30 F9 59 85 67 02 00 00 F0 06 5A 85 67 02 00 00 
{70} normal block at 0x000002678559FC00, 16 bytes long.
 Data: < &#234;&#193;d&#246;           > 80 EA C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002678559F390, 16 bytes long.
 Data: <@&#233;&#193;d&#246;           > 40 E9 C1 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002678559F8E0, 16 bytes long.
 Data: <&#248;W&#190;d&#246;           > F8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002678559F020, 16 bytes long.
 Data: <&#216;W&#190;d&#246;           > D8 57 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002678559EEE0, 16 bytes long.
 Data: <P &#190;d&#246;           > 50 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002678559F660, 16 bytes long.
 Data: <0 &#190;d&#246;           > 30 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002678559F890, 16 bytes long.
 Data: <&#224; &#190;d&#246;           > E0 02 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002678559EFD0, 16 bytes long.
 Data: <  &#190;d&#246;           > 10 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002678559EE90, 16 bytes long.
 Data: <p &#190;d&#246;           > 70 04 BE 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002678559EF30, 16 bytes long.
 Data: < &#192;&#188;d&#246;           > 18 C0 BC 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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