Task 38687758

Name test_269-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9645_0
Workunit 31629139
Created 28 Oct 2026, 9:35:04 UTC
Sent 28 Oct 2026, 9:35:09 UTC
Report deadline 2 Nov 2026, 9:35:09 UTC
Received 28 Oct 2026, 10:44:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 496592
Run time 1 hours 0 min 53 sec
CPU time 59 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,334.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.51 MB
Peak swap size 3.75 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
10:42:32 (16192): wrapper (7.9.26016): starting
10:42:32 (16192): 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
10:42:34 (16192): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:42:34 (16192): 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
11:43:20 (16192): C:/Windows/system32/cmd.exe exited; CPU time 3543.312500
11:43:20 (16192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 50415091 bytes.
Dumping objects ->
{3835361} normal block at 0x000001CE17370E60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835350} normal block at 0x000001CE17371020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835339} normal block at 0x000001CE17370CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835328} normal block at 0x000001CE17370B50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835317} normal block at 0x000001CE17370C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835286} normal block at 0x000001CE1741E090, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000001CE174BFFC0, 141 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) : {3835272} normal block at 0x000001CE158383D0, 8 bytes long.
 Data: <    &#206;   > 00 00 81 15 CE 01 00 00 
{3834603} normal block at 0x000001CE174C0160, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001CE15838CE0, 8 bytes long.
 Data: <&#160; L &#206;   > A0 1C 4C 17 CE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001CE15843230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CE1583E8F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001CE158442C0, 16 bytes long.
 Data: <hT&#132; &#206;           > 68 54 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CE15844B80, 16 bytes long.
 Data: <@T&#132; &#206;           > 40 54 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CE1583F870, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001CE15844270, 16 bytes long.
 Data: < T&#132; &#206;           > 18 54 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CE158449F0, 16 bytes long.
 Data: <&#240;S&#132; &#206;           > F0 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CE158444F0, 16 bytes long.
 Data: <&#200;S&#132; &#206;           > C8 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CE15844B30, 16 bytes long.
 Data: <&#160;S&#132; &#206;           > A0 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CE1583D520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001CE15844900, 16 bytes long.
 Data: <H&#208;&#130; &#206;           > 48 D0 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CE1583ED90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001CE158446D0, 16 bytes long.
 Data: < &#208;&#130; &#206;           > 20 D0 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CE15844220, 16 bytes long.
 Data: <&#248;&#207;&#130; &#206;           > F8 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CE15844D10, 16 bytes long.
 Data: <&#208;&#207;&#130; &#206;           > D0 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CE158441D0, 16 bytes long.
 Data: <&#168;&#207;&#130; &#206;           > A8 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CE15844AE0, 16 bytes long.
 Data: < &#207;&#130; &#206;           > 80 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CE158448B0, 16 bytes long.
 Data: <X&#207;&#130; &#206;           > 58 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CE1583EFD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001CE15844CC0, 16 bytes long.
 Data: <0&#207;&#130; &#206;           > 30 CF 82 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CE1582CF30, 320 bytes long.
 Data: <&#192;L&#132; &#206;   &#208;&#239;&#131; &#206;   > C0 4C 84 15 CE 01 00 00 D0 EF 83 15 CE 01 00 00 
{271} normal block at 0x000001CE15844680, 16 bytes long.
 Data: < S&#132; &#206;           > 80 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CE15845030, 16 bytes long.
 Data: <XS&#132; &#206;           > 58 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CE1583F2D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001CE15844950, 16 bytes long.
 Data: <0S&#132; &#206;           > 30 53 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CE1583F810, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001CE15844A90, 16 bytes long.
 Data: <xR&#132; &#206;           > 78 52 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CE15844400, 16 bytes long.
 Data: <PR&#132; &#206;           > 50 52 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CE15844860, 16 bytes long.
 Data: <(R&#132; &#206;           > 28 52 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001CE158444A0, 16 bytes long.
 Data: < R&#132; &#206;           > 00 52 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CE15844F40, 16 bytes long.
 Data: <&#216;Q&#132; &#206;           > D8 51 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CE15844EF0, 16 bytes long.
 Data: <&#176;Q&#132; &#206;           > B0 51 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CE15844A40, 16 bytes long.
 Data: <&#208;&#211;&#131; &#206;           > D0 D3 83 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CE1583D3D0, 40 bytes long.
 Data: <@J&#132; &#206;    &#224;A &#206;   > 40 4A 84 15 CE 01 00 00 90 E0 41 17 CE 01 00 00 
{257} normal block at 0x000001CE158445E0, 16 bytes long.
 Data: < Q&#132; &#206;           > 90 51 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CE15844FE0, 16 bytes long.
 Data: <hQ&#132; &#206;           > 68 51 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CE1583EDF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001CE15844F90, 16 bytes long.
 Data: <@Q&#132; &#206;           > 40 51 84 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CE15845140, 992 bytes long.
 Data: < O&#132; &#206;   &#240;&#237;&#131; &#206;   > 90 4F 84 15 CE 01 00 00 F0 ED 83 15 CE 01 00 00 
{89} normal block at 0x000001CE1583EF70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001CE15839000, 16 bytes long.
 Data: <&#208;&#218;&#131; &#206;           > D0 DA 83 15 CE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001CE1583DAD0, 40 bytes long.
 Data: <  &#131; &#206;   p&#239;&#131; &#206;   > 00 90 83 15 CE 01 00 00 70 EF 83 15 CE 01 00 00 
{66} normal block at 0x000001CE15838BF0, 16 bytes long.
 Data: < &#234;&&#183;&#246;           > 80 EA 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CE15838330, 16 bytes long.
 Data: <@&#233;&&#183;&#246;           > 40 E9 26 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CE15838A60, 16 bytes long.
 Data: <&#248;W#&#183;&#246;           > F8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CE15838BA0, 16 bytes long.
 Data: <&#216;W#&#183;&#246;           > D8 57 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CE158385B0, 16 bytes long.
 Data: <P #&#183;&#246;           > 50 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CE15838EC0, 16 bytes long.
 Data: <0 #&#183;&#246;           > 30 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CE15838510, 16 bytes long.
 Data: <&#224; #&#183;&#246;           > E0 02 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CE15838A10, 16 bytes long.
 Data: <  #&#183;&#246;           > 10 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CE15838C90, 16 bytes long.
 Data: <p #&#183;&#246;           > 70 04 23 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CE15838880, 16 bytes long.
 Data: < &#192;!&#183;&#246;           > 18 C0 21 B7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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