Task 38681562

Name test_842-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3013_0
Workunit 31623223
Created 27 Oct 2026, 4:27:33 UTC
Sent 27 Oct 2026, 4:27:39 UTC
Report deadline 1 Nov 2026, 4:27:39 UTC
Received 27 Oct 2026, 7:36:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 2 min 28 sec
CPU time 52 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 644.27 MB
Peak swap size 2.23 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:36:04 (10012): wrapper (7.9.26016): starting
00:36:04 (10012): 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
00:36:06 (10012): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:36:06 (10012): 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
01:35:38 (10012): C:/Windows/system32/cmd.exe exited; CPU time 3175.656250
01:35:38 (10012): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 39377617 bytes.
Dumping objects ->
{3835251} normal block at 0x0000015135898CD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x0000015135898C60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000015135899360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x0000015135899590, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x0000015135898950, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x000001513583E1F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x0000015133D24660, 235 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) : {3835162} normal block at 0x0000015133D16900, 8 bytes long.
 Data: <  _5Q   > 00 00 5F 35 51 01 00 00 
{3834555} normal block at 0x0000015133D24070, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x0000015133D170D0, 8 bytes long.
 Data: < &#230;y5Q   > 00 E6 79 35 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000015133D21AB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015133D0ADC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x0000015133D22A00, 16 bytes long.
 Data: <&#168;R&#210;3Q           > A8 52 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015133D23180, 16 bytes long.
 Data: < R&#210;3Q           > 80 52 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015133D1CD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x0000015133D22D20, 16 bytes long.
 Data: <XR&#210;3Q           > 58 52 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015133D22B40, 16 bytes long.
 Data: <0R&#210;3Q           > 30 52 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000015133D23310, 16 bytes long.
 Data: < R&#210;3Q           > 08 52 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015133D23900, 16 bytes long.
 Data: <&#224;Q&#210;3Q           > E0 51 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015133D1B230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x0000015133D22E60, 16 bytes long.
 Data: <8&#194;&#209;3Q           > 38 C2 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015133D1C7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x0000015133D22E10, 16 bytes long.
 Data: < &#194;&#209;3Q           > 10 C2 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015133D231D0, 16 bytes long.
 Data: <&#232;&#193;&#209;3Q           > E8 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000015133D238B0, 16 bytes long.
 Data: <&#192;&#193;&#209;3Q           > C0 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015133D22C30, 16 bytes long.
 Data: < &#193;&#209;3Q           > 98 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015133D230E0, 16 bytes long.
 Data: <p&#193;&#209;3Q           > 70 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015133D22A50, 16 bytes long.
 Data: <H&#193;&#209;3Q           > 48 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015133D1CDF0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x0000015133D23860, 16 bytes long.
 Data: < &#193;&#209;3Q           > 20 C1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015133D1C120, 320 bytes long.
 Data: <`8&#210;3Q   &#240;&#205;&#209;3Q   > 60 38 D2 33 51 01 00 00 F0 CD D1 33 51 01 00 00 
{268} normal block at 0x0000015133D235E0, 16 bytes long.
 Data: <&#192;Q&#210;3Q           > C0 51 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015133D22D70, 16 bytes long.
 Data: < Q&#210;3Q           > 98 51 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015133D1C550, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x0000015133D23590, 16 bytes long.
 Data: <pQ&#210;3Q           > 70 51 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015133D1CEB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x0000015133D234A0, 16 bytes long.
 Data: <&#184;P&#210;3Q           > B8 50 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000015133D23950, 16 bytes long.
 Data: < P&#210;3Q           > 90 50 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015133D22CD0, 16 bytes long.
 Data: <hP&#210;3Q           > 68 50 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015133D23450, 16 bytes long.
 Data: <@P&#210;3Q           > 40 50 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015133D23090, 16 bytes long.
 Data: < P&#210;3Q           > 18 50 D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015133D23720, 16 bytes long.
 Data: <&#240;O&#210;3Q           > F0 4F D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000015133D23270, 16 bytes long.
 Data: <&#192;&#177;&#209;3Q           > C0 B1 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015133D1B1C0, 40 bytes long.
 Data: <p2&#210;3Q   &#240;&#225;&#131;5Q   > 70 32 D2 33 51 01 00 00 F0 E1 83 35 51 01 00 00 
{254} normal block at 0x0000015133D23540, 16 bytes long.
 Data: <&#208;O&#210;3Q           > D0 4F D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000015133D23770, 16 bytes long.
 Data: <&#168;O&#210;3Q           > A8 4F D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000015133D1D1B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x0000015133D232C0, 16 bytes long.
 Data: < O&#210;3Q           > 80 4F D2 33 51 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000015133D24F80, 992 bytes long.
 Data: <&#192;2&#210;3Q   &#176;&#209;&#209;3Q   > C0 32 D2 33 51 01 00 00 B0 D1 D1 33 51 01 00 00 
{86} normal block at 0x0000015133D1CC10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x0000015133D16F40, 16 bytes long.
 Data: <&#176;&#181;&#209;3Q           > B0 B5 D1 33 51 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000015133D1B5B0, 40 bytes long.
 Data: <@o&#209;3Q    &#204;&#209;3Q   > 40 6F D1 33 51 01 00 00 10 CC D1 33 51 01 00 00 
{63} normal block at 0x0000015133D162C0, 16 bytes long.
 Data: < &#234;U/&#247;           > 80 EA 55 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015133D16DB0, 16 bytes long.
 Data: <@&#233;U/&#247;           > 40 E9 55 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015133D167C0, 16 bytes long.
 Data: <&#248;WR/&#247;           > F8 57 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015133D165E0, 16 bytes long.
 Data: <&#216;WR/&#247;           > D8 57 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015133D16A90, 16 bytes long.
 Data: <P R/&#247;           > 50 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015133D16CC0, 16 bytes long.
 Data: <0 R/&#247;           > 30 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015133D17030, 16 bytes long.
 Data: <&#224; R/&#247;           > E0 02 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000015133D164F0, 16 bytes long.
 Data: <  R/&#247;           > 10 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000015133D16360, 16 bytes long.
 Data: <p R/&#247;           > 70 04 52 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000015133D16EA0, 16 bytes long.
 Data: < &#192;P/&#247;           > 18 C0 50 2F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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