Task 38685385

Name test_306-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6290_0
Workunit 31626854
Created 27 Oct 2026, 20:48:11 UTC
Sent 27 Oct 2026, 20:48:12 UTC
Report deadline 1 Nov 2026, 20:48:12 UTC
Received 28 Oct 2026, 3:20:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 400693
Run time 1 hours 36 min 41 sec
CPU time 1 hours 28 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,172.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.26 MB
Peak swap size 3.70 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
02:45:54 (9432): wrapper (7.9.26016): starting
02:45:54 (9432): 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
02:45:57 (9432): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:45:57 (9432): 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\14\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\14\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
04:19:04 (9432): C:/Windows/system32/cmd.exe exited; CPU time 5334.343750
04:19:04 (9432): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 62234839 bytes.
Dumping objects ->
{3835132} normal block at 0x00000168597696D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835121} normal block at 0x00000168597692E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835110} normal block at 0x0000016859768A20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835099} normal block at 0x0000016859768DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835088} normal block at 0x00000168597695F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835057} normal block at 0x000001685B287350, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835046} normal block at 0x000001685979DB30, 145 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) : {3835043} normal block at 0x0000016859737A70, 8 bytes long.
 Data: <  nYh   > 00 00 6E 59 68 01 00 00 
{3834495} normal block at 0x000001685979D0A0, 145 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000016859738150, 8 bytes long.
 Data: <`E.[h   > 60 45 2E 5B 68 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000016859744540, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001685972D220, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000016859745D50, 16 bytes long.
 Data: <xgtYh           > 78 67 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016859745490, 16 bytes long.
 Data: <PgtYh           > 50 67 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001685973E930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000016859746160, 16 bytes long.
 Data: <(gtYh           > 28 67 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016859745A80, 16 bytes long.
 Data: < gtYh           > 00 67 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000168597463E0, 16 bytes long.
 Data: <&#216;ftYh           > D8 66 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000168597459E0, 16 bytes long.
 Data: <&#176;ftYh           > B0 66 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001685973CE40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000016859746020, 16 bytes long.
 Data: < &#198;rYh           > 88 C6 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001685973E8D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000016859745D00, 16 bytes long.
 Data: <`&#198;rYh           > 60 C6 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016859745B20, 16 bytes long.
 Data: <8&#198;rYh           > 38 C6 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000168597462A0, 16 bytes long.
 Data: < &#198;rYh           > 10 C6 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016859745CB0, 16 bytes long.
 Data: <&#232;&#197;rYh           > E8 C5 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016859745F30, 16 bytes long.
 Data: <&#192;&#197;rYh           > C0 C5 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016859745800, 16 bytes long.
 Data: < &#197;rYh           > 98 C5 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001685973E7B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000016859745990, 16 bytes long.
 Data: <p&#197;rYh           > 70 C5 72 59 68 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001685972C570, 320 bytes long.
 Data: < YtYh   &#176;&#231;sYh   > 90 59 74 59 68 01 00 00 B0 E7 73 59 68 01 00 00 
{273} normal block at 0x0000016859745C60, 16 bytes long.
 Data: < ftYh           > 90 66 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000168597462F0, 16 bytes long.
 Data: <hftYh           > 68 66 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001685973EB10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000016859745C10, 16 bytes long.
 Data: <@ftYh           > 40 66 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001685973EBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000016859745670, 16 bytes long.
 Data: < etYh           > 88 65 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016859745AD0, 16 bytes long.
 Data: <`etYh           > 60 65 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016859746250, 16 bytes long.
 Data: <8etYh           > 38 65 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000168597457B0, 16 bytes long.
 Data: < etYh           > 10 65 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016859745620, 16 bytes long.
 Data: <&#232;dtYh           > E8 64 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000168597456C0, 16 bytes long.
 Data: <&#192;dtYh           > C0 64 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000168597455D0, 16 bytes long.
 Data: < &#200;sYh           > 20 C8 73 59 68 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001685973C820, 40 bytes long.
 Data: <&#208;UtYh   Ps([h   > D0 55 74 59 68 01 00 00 50 73 28 5B 68 01 00 00 
{259} normal block at 0x0000016859746200, 16 bytes long.
 Data: <&#160;dtYh           > A0 64 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016859745B70, 16 bytes long.
 Data: <xdtYh           > 78 64 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001685973EAB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000168597458A0, 16 bytes long.
 Data: <PdtYh           > 50 64 74 59 68 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000016859746450, 992 bytes long.
 Data: <&#160;XtYh   &#176;&#234;sYh   > A0 58 74 59 68 01 00 00 B0 EA 73 59 68 01 00 00 
{91} normal block at 0x000001685973E030, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000168597381F0, 16 bytes long.
 Data: <&#160;&#203;sYh           > A0 CB 73 59 68 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001685973CBA0, 40 bytes long.
 Data: <&#240; sYh   0&#224;sYh   > F0 81 73 59 68 01 00 00 30 E0 73 59 68 01 00 00 
{68} normal block at 0x0000016859737E30, 16 bytes long.
 Data: < &#234;Jd&#247;           > 80 EA 4A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016859738510, 16 bytes long.
 Data: <@&#233;Jd&#247;           > 40 E9 4A 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016859738100, 16 bytes long.
 Data: <&#248;WGd&#247;           > F8 57 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016859738470, 16 bytes long.
 Data: <&#216;WGd&#247;           > D8 57 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016859737F20, 16 bytes long.
 Data: <P Gd&#247;           > 50 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016859737930, 16 bytes long.
 Data: <0 Gd&#247;           > 30 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016859738420, 16 bytes long.
 Data: <&#224; Gd&#247;           > E0 02 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016859737F70, 16 bytes long.
 Data: <  Gd&#247;           > 10 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000168597380B0, 16 bytes long.
 Data: <p Gd&#247;           > 70 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016859738330, 16 bytes long.
 Data: < &#192;Ed&#247;           > 18 C0 45 64 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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