Task 38696621

Name test_964-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7983_0
Workunit 31637242
Created 1 Nov 2026, 2:28:31 UTC
Sent 1 Nov 2026, 2:28:41 UTC
Report deadline 6 Nov 2026, 2:28:41 UTC
Received 1 Nov 2026, 3:11:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640529
Run time 42 min 11 sec
CPU time 38 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.63 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:29:53 (10524): wrapper (7.9.26016): starting
19:29:53 (10524): 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
19:29:55 (10524): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:29:55 (10524): 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 'D:\BOINC\slots\6\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 'D:\BOINC\slots\6\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
20:11:07 (10524): C:/Windows/system32/cmd.exe exited; CPU time 2328.453125
20:11:07 (10524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 28803757 bytes.
Dumping objects ->
{3835192} normal block at 0x000002894F014590, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x0000028950CC6550, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835170} normal block at 0x0000028950CC52F0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835159} normal block at 0x0000028950CC54D0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835148} normal block at 0x0000028950CC5E90, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835117} normal block at 0x000002894F0146E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835104} normal block at 0x000002894F00D4E0, 8 bytes long.
 Data: <  &#251;N&#137;   > 00 00 FB 4E 89 02 00 00 
{3833949} normal block at 0x000002894F00D1C0, 8 bytes long.
 Data: <`> O&#137;   > 60 3E 01 4F 89 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002894F010A90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002894EFFF030, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002894F015B70, 16 bytes long.
 Data: <&#168;_ O&#137;           > A8 5F 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002894F015440, 16 bytes long.
 Data: < _ O&#137;           > 80 5F 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002894F00F020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002894F015030, 16 bytes long.
 Data: <X_ O&#137;           > 58 5F 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002894F015AD0, 16 bytes long.
 Data: <0_ O&#137;           > 30 5F 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002894F015350, 16 bytes long.
 Data: < _ O&#137;           > 08 5F 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002894F015A80, 16 bytes long.
 Data: <&#224;^ O&#137;           > E0 5E 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002894F0144B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002894F014D10, 16 bytes long.
 Data: <H  O&#137;           > 48 04 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002894F00EFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002894F0158F0, 16 bytes long.
 Data: <   O&#137;           > 20 04 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002894F015300, 16 bytes long.
 Data: <&#248;  O&#137;           > F8 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002894F015A30, 16 bytes long.
 Data: <&#208;  O&#137;           > D0 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002894F015B20, 16 bytes long.
 Data: <&#168;  O&#137;           > A8 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002894F0155D0, 16 bytes long.
 Data: <   O&#137;           > 80 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002894F014DB0, 16 bytes long.
 Data: <X  O&#137;           > 58 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002894F00EEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002894F014EF0, 16 bytes long.
 Data: <0  O&#137;           > 30 03 00 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002894F000330, 320 bytes long.
 Data: <&#240;N O&#137;   &#160;&#238; O&#137;   > F0 4E 01 4F 89 02 00 00 A0 EE 00 4F 89 02 00 00 
{270} normal block at 0x000002894F0152B0, 16 bytes long.
 Data: <&#192;^ O&#137;           > C0 5E 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002894F0158A0, 16 bytes long.
 Data: < ^ O&#137;           > 98 5E 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002894F00ED80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002894F0154E0, 16 bytes long.
 Data: <p^ O&#137;           > 70 5E 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002894F00EE40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002894F015580, 16 bytes long.
 Data: <&#184;] O&#137;           > B8 5D 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002894F015990, 16 bytes long.
 Data: < ] O&#137;           > 90 5D 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002894F015260, 16 bytes long.
 Data: <h] O&#137;           > 68 5D 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002894F015800, 16 bytes long.
 Data: <@] O&#137;           > 40 5D 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002894F0157B0, 16 bytes long.
 Data: < ] O&#137;           > 18 5D 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002894F015210, 16 bytes long.
 Data: <&#240;\ O&#137;           > F0 5C 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002894F015850, 16 bytes long.
 Data: < F O&#137;           > 00 46 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002894F014600, 40 bytes long.
 Data: <PX O&#137;   &#224;F O&#137;   > 50 58 01 4F 89 02 00 00 E0 46 01 4F 89 02 00 00 
{256} normal block at 0x000002894F015710, 16 bytes long.
 Data: <&#208;\ O&#137;           > D0 5C 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002894F0159E0, 16 bytes long.
 Data: <&#168;\ O&#137;           > A8 5C 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002894F00F3E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002894F014CC0, 16 bytes long.
 Data: < \ O&#137;           > 80 5C 01 4F 89 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002894F015C80, 992 bytes long.
 Data: <&#192;L O&#137;   &#224;&#243; O&#137;   > C0 4C 01 4F 89 02 00 00 E0 F3 00 4F 89 02 00 00 
{88} normal block at 0x000002894F00F0E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002894F00CC20, 16 bytes long.
 Data: < &#231;&#255;N&#137;           > 80 E7 FF 4E 89 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002894EFFE780, 40 bytes long.
 Data: < &#204; O&#137;   &#224;&#240; O&#137;   > 20 CC 00 4F 89 02 00 00 E0 F0 00 4F 89 02 00 00 
{65} normal block at 0x000002894F00CE00, 16 bytes long.
 Data: < &#234;&#193; &#247;           > 80 EA C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002894F00D800, 16 bytes long.
 Data: <@&#233;&#193; &#247;           > 40 E9 C1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002894F00CDB0, 16 bytes long.
 Data: <&#248;W&#190; &#247;           > F8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002894F00D7B0, 16 bytes long.
 Data: <&#216;W&#190; &#247;           > D8 57 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002894F00CB80, 16 bytes long.
 Data: <P &#190; &#247;           > 50 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002894F00D8F0, 16 bytes long.
 Data: <0 &#190; &#247;           > 30 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002894F00D0D0, 16 bytes long.
 Data: <&#224; &#190; &#247;           > E0 02 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002894F00D9E0, 16 bytes long.
 Data: <  &#190; &#247;           > 10 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002894F00CD60, 16 bytes long.
 Data: <p &#190; &#247;           > 70 04 BE 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002894F00D6C0, 16 bytes long.
 Data: < &#192;&#188; &#247;           > 18 C0 BC 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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