Task 38667792

Name test_874-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND5913_1
Workunit 31604396
Created 25 Oct 2026, 9:28:01 UTC
Sent 25 Oct 2026, 9:28:10 UTC
Report deadline 30 Oct 2026, 9:28:10 UTC
Received 25 Oct 2026, 11:38:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 2 min 28 sec
CPU time 59 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.04 MB
Peak swap size 9.74 GB
Peak disk usage 3.72 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:36:53 (36736): wrapper (7.9.26016): starting
03:36:53 (36736): 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
03:36:56 (36736): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:36:56 (36736): 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
04:37:25 (36736): C:/Windows/system32/cmd.exe exited; CPU time 3564.921875
04:37:25 (36736): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 72601155 bytes.
Dumping objects ->
{3835195} normal block at 0x000002A3D94493A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x000002A3D94494F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000002A3D9449480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x000002A3D77348D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000002A3D7734D30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x000002A3D9432FC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835107} normal block at 0x000002A3D772E7E0, 8 bytes long.
 Data: <  &#176;&#215;&#163;   > 00 00 B0 D7 A3 02 00 00 
{3833957} normal block at 0x000002A3D772EB00, 8 bytes long.
 Data: <&#176;7I&#217;&#163;   > B0 37 49 D9 A3 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002A3D7730D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A3D7726280, 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 0x000002A3D7736510, 16 bytes long.
 Data: < Us&#215;&#163;           > 18 55 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A3D7735D40, 16 bytes long.
 Data: <&#240;Ts&#215;&#163;           > F0 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A3D772FB80, 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 0x000002A3D7735BB0, 16 bytes long.
 Data: <&#200;Ts&#215;&#163;           > C8 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A3D7736010, 16 bytes long.
 Data: <&#160;Ts&#215;&#163;           > A0 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A3D7735750, 16 bytes long.
 Data: <xTs&#215;&#163;           > 78 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A3D7735660, 16 bytes long.
 Data: <PTs&#215;&#163;           > 50 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A3D77346A0, 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 0x000002A3D7736420, 16 bytes long.
 Data: <&#216;&#230;q&#215;&#163;           > D8 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A3D772FE20, 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 0x000002A3D7735F70, 16 bytes long.
 Data: <&#176;&#230;q&#215;&#163;           > B0 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A3D7736290, 16 bytes long.
 Data: < &#230;q&#215;&#163;           > 88 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A3D7735E30, 16 bytes long.
 Data: <`&#230;q&#215;&#163;           > 60 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A3D7735FC0, 16 bytes long.
 Data: <8&#230;q&#215;&#163;           > 38 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A3D7735DE0, 16 bytes long.
 Data: < &#230;q&#215;&#163;           > 10 E6 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A3D7735A70, 16 bytes long.
 Data: <&#232;&#229;q&#215;&#163;           > E8 E5 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A3D7730420, 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 0x000002A3D7735C00, 16 bytes long.
 Data: <&#192;&#229;q&#215;&#163;           > C0 E5 71 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A3D771E5C0, 320 bytes long.
 Data: < \s&#215;&#163;     s&#215;&#163;   > 00 5C 73 D7 A3 02 00 00 20 04 73 D7 A3 02 00 00 
{274} normal block at 0x000002A3D7735B10, 16 bytes long.
 Data: <0Ts&#215;&#163;           > 30 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A3D77362E0, 16 bytes long.
 Data: < Ts&#215;&#163;           > 08 54 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A3D7730000, 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 0x000002A3D7736470, 16 bytes long.
 Data: <&#224;Ss&#215;&#163;           > E0 53 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A3D7730240, 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 0x000002A3D7735700, 16 bytes long.
 Data: <(Ss&#215;&#163;           > 28 53 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A3D7735A20, 16 bytes long.
 Data: < Ss&#215;&#163;           > 00 53 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A3D77361A0, 16 bytes long.
 Data: <&#216;Rs&#215;&#163;           > D8 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A3D7735AC0, 16 bytes long.
 Data: <&#176;Rs&#215;&#163;           > B0 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A3D77364C0, 16 bytes long.
 Data: < Rs&#215;&#163;           > 88 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A3D772F500, 16 bytes long.
 Data: <`Rs&#215;&#163;           > 60 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A3D772F230, 16 bytes long.
 Data: <0Fs&#215;&#163;           > 30 46 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A3D7734630, 40 bytes long.
 Data: <0&#242;r&#215;&#163;   &#192;/C&#217;&#163;   > 30 F2 72 D7 A3 02 00 00 C0 2F 43 D9 A3 02 00 00 
{260} normal block at 0x000002A3D772F0A0, 16 bytes long.
 Data: <@Rs&#215;&#163;           > 40 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A3D772F410, 16 bytes long.
 Data: < Rs&#215;&#163;           > 18 52 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A3D772FD60, 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 0x000002A3D772EF60, 16 bytes long.
 Data: <&#240;Qs&#215;&#163;           > F0 51 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002A3D77351F0, 992 bytes long.
 Data: <`&#239;r&#215;&#163;   `&#253;r&#215;&#163;   > 60 EF 72 D7 A3 02 00 00 60 FD 72 D7 A3 02 00 00 
{92} normal block at 0x000002A3D772FDC0, 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 0x000002A3D772F1E0, 16 bytes long.
 Data: < Gs&#215;&#163;           > 10 47 73 D7 A3 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002A3D7734710, 40 bytes long.
 Data: <&#224;&#241;r&#215;&#163;   &#192;&#253;r&#215;&#163;   > E0 F1 72 D7 A3 02 00 00 C0 FD 72 D7 A3 02 00 00 
{69} normal block at 0x000002A3D772E6F0, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A3D772F3C0, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A3D772F000, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A3D772E830, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A3D772EA60, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A3D772F460, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A3D772F640, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A3D772F0F0, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002A3D772EBF0, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002A3D772EA10, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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