Task 38697151

Name test_817-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3725_0
Workunit 31637738
Created 1 Nov 2026, 9:51:12 UTC
Sent 1 Nov 2026, 9:51:13 UTC
Report deadline 6 Nov 2026, 9:51:13 UTC
Received 1 Nov 2026, 10:42:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 88340
Run time 45 min 13 sec
CPU time 43 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.02 MB
Peak swap size 6.86 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:57:27 (7112): wrapper (7.9.26016): starting
09:57:27 (7112): 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
09:57:28 (7112): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:57:28 (7112): 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
10:41:41 (7112): C:/Windows/system32/cmd.exe exited; CPU time 2599.343750
10:41:41 (7112): 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: 34934309 bytes.
Dumping objects ->
{3835307} normal block at 0x0000015C4D0BDAB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x0000015C4B494970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x0000015C4B494890, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835274} normal block at 0x0000015C4B494820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x0000015C4B494900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835232} normal block at 0x0000015C4D10A180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000015C4D11E470, 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) : {3835218} normal block at 0x0000015C4B48EA60, 8 bytes long.
 Data: <  &#237;L\   > 00 00 ED 4C 5C 01 00 00 
{3834571} normal block at 0x0000015C4D11E5D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000015C4B48E600, 8 bytes long.
 Data: <07 M\   > 30 37 16 4D 5C 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000015C4B490800, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015C4B486970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000015C4B495CF0, 16 bytes long.
 Data: <(fIK\           > 28 66 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015C4B4961F0, 16 bytes long.
 Data: < fIK\           > 00 66 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015C4B48F6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000015C4B495C00, 16 bytes long.
 Data: <&#216;eIK\           > D8 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015C4B4953E0, 16 bytes long.
 Data: <&#176;eIK\           > B0 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015C4B4959D0, 16 bytes long.
 Data: < eIK\           > 88 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015C4B495610, 16 bytes long.
 Data: <`eIK\           > 60 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015C4B494580, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000015C4B495840, 16 bytes long.
 Data: <  HK\           > 88 8F 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015C4B48FB70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000015C4B495BB0, 16 bytes long.
 Data: <` HK\           > 60 8F 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015C4B495CA0, 16 bytes long.
 Data: <8 HK\           > 38 8F 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015C4B495F20, 16 bytes long.
 Data: <  HK\           > 10 8F 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015C4B495390, 16 bytes long.
 Data: <&#232;&#142;HK\           > E8 8E 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015C4B495ED0, 16 bytes long.
 Data: <&#192;&#142;HK\           > C0 8E 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015C4B495B60, 16 bytes long.
 Data: < &#142;HK\           > 98 8E 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015C4B48FF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000015C4B495340, 16 bytes long.
 Data: <p&#142;HK\           > 70 8E 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015C4B488E70, 320 bytes long.
 Data: <@SIK\    &#255;HK\   > 40 53 49 4B 5C 01 00 00 90 FF 48 4B 5C 01 00 00 
{274} normal block at 0x0000015C4B495FC0, 16 bytes long.
 Data: <@eIK\           > 40 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015C4B4961A0, 16 bytes long.
 Data: < eIK\           > 18 65 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015C4B48FF30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000015C4B495A20, 16 bytes long.
 Data: <&#240;dIK\           > F0 64 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015C4B48FFF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000015C4B495A70, 16 bytes long.
 Data: <8dIK\           > 38 64 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000015C4B496100, 16 bytes long.
 Data: < dIK\           > 10 64 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015C4B495C50, 16 bytes long.
 Data: <&#232;cIK\           > E8 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015C4B495F70, 16 bytes long.
 Data: <&#192;cIK\           > C0 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015C4B495980, 16 bytes long.
 Data: < cIK\           > 98 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015C4B495AC0, 16 bytes long.
 Data: <pcIK\           > 70 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015C4B495520, 16 bytes long.
 Data: < LIK\           > 80 4C 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015C4B494C80, 40 bytes long.
 Data: < UIK\    &#161; M\   > 20 55 49 4B 5C 01 00 00 80 A1 10 4D 5C 01 00 00 
{260} normal block at 0x0000015C4B496150, 16 bytes long.
 Data: <PcIK\           > 50 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015C4B495570, 16 bytes long.
 Data: <(cIK\           > 28 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015C4B48FE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000015C4B495E80, 16 bytes long.
 Data: < cIK\           > 00 63 49 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015C4B496300, 992 bytes long.
 Data: < ^IK\    &#254;HK\   > 80 5E 49 4B 5C 01 00 00 10 FE 48 4B 5C 01 00 00 
{92} normal block at 0x0000015C4B48FD50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000015C4B48EF10, 16 bytes long.
 Data: <p&#228;HK\           > 70 E4 48 4B 5C 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000015C4B48E470, 40 bytes long.
 Data: < &#239;HK\   P&#253;HK\   > 10 EF 48 4B 5C 01 00 00 50 FD 48 4B 5C 01 00 00 
{69} normal block at 0x0000015C4B48F280, 16 bytes long.
 Data: < &#234;Y&#255;&#247;           > 80 EA 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000015C4B48E970, 16 bytes long.
 Data: <@&#233;Y&#255;&#247;           > 40 E9 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000015C4B48E9C0, 16 bytes long.
 Data: <&#248;WV&#255;&#247;           > F8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000015C4B48E920, 16 bytes long.
 Data: <&#216;WV&#255;&#247;           > D8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015C4B48E8D0, 16 bytes long.
 Data: <P V&#255;&#247;           > 50 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015C4B48F230, 16 bytes long.
 Data: <0 V&#255;&#247;           > 30 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015C4B48EEC0, 16 bytes long.
 Data: <&#224; V&#255;&#247;           > E0 02 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015C4B48F000, 16 bytes long.
 Data: <  V&#255;&#247;           > 10 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015C4B48F1E0, 16 bytes long.
 Data: <p V&#255;&#247;           > 70 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015C4B48F4B0, 16 bytes long.
 Data: < &#192;T&#255;&#247;           > 18 C0 54 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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