Task 38662393

Name test_1658-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5029_0
Workunit 31605654
Created 24 Oct 2026, 18:58:38 UTC
Sent 24 Oct 2026, 18:58:43 UTC
Report deadline 29 Oct 2026, 18:58:43 UTC
Received 24 Oct 2026, 20:57:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640711
Run time 57 min 58 sec
CPU time 57 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.71 MB
Peak swap size 6.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:12:23 (13824): wrapper (7.9.26016): starting
15:12:23 (13824): 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
15:12:25 (13824): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:12:25 (13824): 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
16:16:09 (13824): C:/Windows/system32/cmd.exe exited; CPU time 3478.343750
16:16:09 (13824): 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: 38263687 bytes.
Dumping objects ->
{3835306} normal block at 0x0000024384ACDF70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000024384ACE360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000024384ACE830, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x0000024382D364F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x0000024382D36480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000024384B1D160, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000024384B304E0, 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) : {3835216} normal block at 0x0000024382D2E660, 8 bytes long.
 Data: <  !&#131;C   > 00 00 21 83 43 02 00 00 
{3834584} normal block at 0x0000024384B2FB40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833973} normal block at 0x0000024382D2EE80, 8 bytes long.
 Data: <&#208;&#220;&#209;&#130;C   > D0 DC D1 82 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000024382D32420, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000024382D279D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000024382D36BE0, 16 bytes long.
 Data: <8}&#211;&#130;C           > 38 7D D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000024382D36B90, 16 bytes long.
 Data: < }&#211;&#130;C           > 10 7D D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024382D30BF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000024382D378B0, 16 bytes long.
 Data: <&#232;|&#211;&#130;C           > E8 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024382D37310, 16 bytes long.
 Data: <&#192;|&#211;&#130;C           > C0 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024382D374A0, 16 bytes long.
 Data: < |&#211;&#130;C           > 98 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024382D36FA0, 16 bytes long.
 Data: <p|&#211;&#130;C           > 70 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024382D36560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x0000024382D37270, 16 bytes long.
 Data: <&#216;&#255;&#209;&#130;C           > D8 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024382D30A70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000024382D36E10, 16 bytes long.
 Data: <&#176;&#255;&#209;&#130;C           > B0 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024382D36B40, 16 bytes long.
 Data: < &#255;&#209;&#130;C           > 88 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024382D37180, 16 bytes long.
 Data: <`&#255;&#209;&#130;C           > 60 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024382D370E0, 16 bytes long.
 Data: <8&#255;&#209;&#130;C           > 38 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024382D36EB0, 16 bytes long.
 Data: < &#255;&#209;&#130;C           > 10 FF D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024382D37770, 16 bytes long.
 Data: <&#232;&#254;&#209;&#130;C           > E8 FE D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024382D30830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000024382D37130, 16 bytes long.
 Data: <&#192;&#254;&#209;&#130;C           > C0 FE D1 82 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024382D1FEC0, 320 bytes long.
 Data: <0q&#211;&#130;C   0 &#211;&#130;C   > 30 71 D3 82 43 02 00 00 30 08 D3 82 43 02 00 00 
{282} normal block at 0x0000024382D36D70, 16 bytes long.
 Data: <P|&#211;&#130;C           > 50 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024382D374F0, 16 bytes long.
 Data: <(|&#211;&#130;C           > 28 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024382D306B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000024382D36DC0, 16 bytes long.
 Data: < |&#211;&#130;C           > 00 7C D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024382D30650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000024382D36AA0, 16 bytes long.
 Data: <H{&#211;&#130;C           > 48 7B D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024382D37860, 16 bytes long.
 Data: < {&#211;&#130;C           > 20 7B D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024382D36A50, 16 bytes long.
 Data: <&#248;z&#211;&#130;C           > F8 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024382D37680, 16 bytes long.
 Data: <&#208;z&#211;&#130;C           > D0 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024382D376D0, 16 bytes long.
 Data: <&#168;z&#211;&#130;C           > A8 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024382D37900, 16 bytes long.
 Data: < z&#211;&#130;C           > 80 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024382D377C0, 16 bytes long.
 Data: <0c&#211;&#130;C           > 30 63 D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024382D36330, 40 bytes long.
 Data: <&#192;w&#211;&#130;C   `&#209;&#177;&#132;C   > C0 77 D3 82 43 02 00 00 60 D1 B1 84 43 02 00 00 
{268} normal block at 0x0000024382D37720, 16 bytes long.
 Data: <`z&#211;&#130;C           > 60 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024382D36F50, 16 bytes long.
 Data: <8z&#211;&#130;C           > 38 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024382D30A10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000024382D37810, 16 bytes long.
 Data: < z&#211;&#130;C           > 10 7A D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024382D37A10, 992 bytes long.
 Data: < x&#211;&#130;C     &#211;&#130;C   > 10 78 D3 82 43 02 00 00 10 0A D3 82 43 02 00 00 
{100} normal block at 0x0000024382D30950, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x0000024382D2F380, 16 bytes long.
 Data: <`^&#211;&#130;C           > 60 5E D3 82 43 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000024382D35E60, 40 bytes long.
 Data: < &#243;&#210;&#130;C   P	&#211;&#130;C   > 80 F3 D2 82 43 02 00 00 50 09 D3 82 43 02 00 00 
{77} normal block at 0x0000024382D2E930, 16 bytes long.
 Data: < &#234;&#239;&#145;&#247;           > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000024382D2F4C0, 16 bytes long.
 Data: <@&#233;&#239;&#145;&#247;           > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000024382D2EE30, 16 bytes long.
 Data: <&#248;W&#236;&#145;&#247;           > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000024382D2E9D0, 16 bytes long.
 Data: <&#216;W&#236;&#145;&#247;           > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024382D2EF70, 16 bytes long.
 Data: <P &#236;&#145;&#247;           > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024382D2E8E0, 16 bytes long.
 Data: <0 &#236;&#145;&#247;           > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024382D2EED0, 16 bytes long.
 Data: <&#224; &#236;&#145;&#247;           > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024382D2EF20, 16 bytes long.
 Data: <  &#236;&#145;&#247;           > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024382D2E890, 16 bytes long.
 Data: <p &#236;&#145;&#247;           > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024382D2F3D0, 16 bytes long.
 Data: < &#192;&#234;&#145;&#247;           > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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