Task 38685181

Name test_582-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2462_0
Workunit 31626660
Created 27 Oct 2026, 19:49:53 UTC
Sent 27 Oct 2026, 19:49:54 UTC
Report deadline 1 Nov 2026, 19:49:54 UTC
Received 27 Oct 2026, 20:25:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559474
Run time 34 min 22 sec
CPU time 30 min 2 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,142.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 661.35 MB
Peak swap size 6.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:52:11 (38412): wrapper (7.9.26016): starting
12:52:11 (38412): 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
12:52:13 (38412): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:52:13 (38412): 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 'E:\ProgramData\BOINC\slots\17\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 'E:\ProgramData\BOINC\slots\17\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
13:24:46 (38412): C:/Windows/system32/cmd.exe exited; CPU time 1802.500000
13:24:47 (38412): 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: 39083871 bytes.
Dumping objects ->
{3835207} normal block at 0x00000158772915D0, 48 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000015877291560, 48 bytes long.
 Data: <HOME=E:\ProgramD> 48 4F 4D 45 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835185} normal block at 0x0000015877291330, 48 bytes long.
 Data: <TMP=E:\ProgramDa> 54 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835174} normal block at 0x0000015877291170, 48 bytes long.
 Data: <TEMP=E:\ProgramD> 54 45 4D 50 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
{3835163} normal block at 0x0000015877291410, 48 bytes long.
 Data: <TMPDIR=E:\Progra> 54 4D 50 44 49 52 3D 45 3A 5C 50 72 6F 67 72 61 
{3835132} normal block at 0x000001587733BA80, 64 bytes long.
 Data: <PATH=E:\ProgramD> 50 41 54 48 3D 45 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835119} normal block at 0x00000158757F66A0, 8 bytes long.
 Data: <   wX   > 00 00 10 77 58 01 00 00 
{3833955} normal block at 0x00000158757F6830, 8 bytes long.
 Data: <@@BwX   > 40 40 42 77 58 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000158758004E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000158757EAEE0, 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 0x0000015875801840, 16 bytes long.
 Data: < < uX           > 18 3C 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015875801D40, 16 bytes long.
 Data: <&#240;; uX           > F0 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000158757FCEB0, 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 0x00000158758017F0, 16 bytes long.
 Data: <&#200;; uX           > C8 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015875801610, 16 bytes long.
 Data: <&#160;; uX           > A0 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000158758015C0, 16 bytes long.
 Data: <x; uX           > 78 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015875801CA0, 16 bytes long.
 Data: <P; uX           > 50 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000158757FB7B0, 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 0x0000015875801750, 16 bytes long.
 Data: <&#232;&#202; uX           > E8 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000158757FD990, 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 0x0000015875801F20, 16 bytes long.
 Data: <&#192;&#202; uX           > C0 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015875801520, 16 bytes long.
 Data: < &#202; uX           > 98 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015875802470, 16 bytes long.
 Data: <p&#202; uX           > 70 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015875801D90, 16 bytes long.
 Data: <H&#202; uX           > 48 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015875801ED0, 16 bytes long.
 Data: < &#202; uX           > 20 CA 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015875801DE0, 16 bytes long.
 Data: <&#248;&#201; uX           > F8 C9 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000158757FD390, 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 0x0000015875801A70, 16 bytes long.
 Data: <&#208;&#201; uX           > D0 C9 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000158757FC9D0, 320 bytes long.
 Data: <p  uX    &#211; uX   > 70 1A 80 75 58 01 00 00 90 D3 7F 75 58 01 00 00 
{273} normal block at 0x00000158758018E0, 16 bytes long.
 Data: <0; uX           > 30 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015875801E80, 16 bytes long.
 Data: < ; uX           > 08 3B 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000158757FD450, 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 0x0000015875801570, 16 bytes long.
 Data: <&#224;: uX           > E0 3A 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000158757FD690, 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 0x00000158758016B0, 16 bytes long.
 Data: <(: uX           > 28 3A 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015875801C00, 16 bytes long.
 Data: < : uX           > 00 3A 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015875802420, 16 bytes long.
 Data: <&#216;9 uX           > D8 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015875801B60, 16 bytes long.
 Data: <&#176;9 uX           > B0 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000158758022E0, 16 bytes long.
 Data: < 9 uX           > 88 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000158758023D0, 16 bytes long.
 Data: <`9 uX           > 60 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015875801B10, 16 bytes long.
 Data: < &#181; uX           > 80 B5 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000158757FB580, 40 bytes long.
 Data: <   uX    &#186;3wX   > 10 1B 80 75 58 01 00 00 80 BA 33 77 58 01 00 00 
{259} normal block at 0x00000158758021F0, 16 bytes long.
 Data: <@9 uX           > 40 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015875801930, 16 bytes long.
 Data: < 9 uX           > 18 39 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000158757FD2D0, 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 0x0000015875801980, 16 bytes long.
 Data: <&#240;8 uX           > F0 38 80 75 58 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000158758038F0, 992 bytes long.
 Data: <   uX   &#208;&#210; uX   > 80 19 80 75 58 01 00 00 D0 D2 7F 75 58 01 00 00 
{91} normal block at 0x00000158757FCDF0, 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 0x00000158757F6E70, 16 bytes long.
 Data: <@&#183; uX           > 40 B7 7F 75 58 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000158757FB740, 40 bytes long.
 Data: <pn uX   &#240;&#205; uX   > 70 6E 7F 75 58 01 00 00 F0 CD 7F 75 58 01 00 00 
{68} normal block at 0x00000158757F7320, 16 bytes long.
 Data: < &#234;&#222;y&#246;           > 80 EA DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000158757F74B0, 16 bytes long.
 Data: <@&#233;&#222;y&#246;           > 40 E9 DE 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000158757F7190, 16 bytes long.
 Data: <&#248;W&#219;y&#246;           > F8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000158757F7140, 16 bytes long.
 Data: <&#216;W&#219;y&#246;           > D8 57 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000158757F6CE0, 16 bytes long.
 Data: <P &#219;y&#246;           > 50 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000158757F6B00, 16 bytes long.
 Data: <0 &#219;y&#246;           > 30 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000158757F6AB0, 16 bytes long.
 Data: <&#224; &#219;y&#246;           > E0 02 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000158757F68D0, 16 bytes long.
 Data: <  &#219;y&#246;           > 10 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000158757F70F0, 16 bytes long.
 Data: <p &#219;y&#246;           > 70 04 DB 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000158757F70A0, 16 bytes long.
 Data: < &#192;&#217;y&#246;           > 18 C0 D9 79 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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