Task 38696541

Name test_885-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7381_0
Workunit 31637167
Created 1 Nov 2026, 1:21:47 UTC
Sent 1 Nov 2026, 1:21:51 UTC
Report deadline 6 Nov 2026, 1:21:51 UTC
Received 1 Nov 2026, 4:18:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 41 min 50 sec
CPU time 40 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.73 MB
Peak swap size 12.94 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
04:18:43 (10052): wrapper (7.9.26016): starting
04:18:43 (10052): 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
04:18:45 (10052): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:18:45 (10052): 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:\boinc\slots\1\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:\boinc\slots\1\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
04:59:09 (10052): C:/Windows/system32/cmd.exe exited; CPU time 2404.296875
04:59:09 (10052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 38793535 bytes.
Dumping objects ->
{3835315} normal block at 0x00000214BC7E4870, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835304} normal block at 0x00000214BE5608D0, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835293} normal block at 0x00000214BE562010, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835282} normal block at 0x00000214BE561950, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835271} normal block at 0x00000214BE561410, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835240} normal block at 0x00000214BC7E4B10, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835229} normal block at 0x00000214BE52EE80, 102 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) : {3835226} normal block at 0x00000214BC7DE7B0, 8 bytes long.
 Data: <  &#191;&#188;    > 00 00 BF BC 14 02 00 00 
{3834587} normal block at 0x00000214BE52E590, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000214BC7DECB0, 8 bytes long.
 Data: < 6W&#190;    > 80 36 57 BE 14 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000214BC7E1090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000214BC7D6230, 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 0x00000214BC7E63B0, 16 bytes long.
 Data: <&#168;T~&#188;            > A8 54 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000214BC7E5C80, 16 bytes long.
 Data: < T~&#188;            > 80 54 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000214BC7DFB80, 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 0x00000214BC7E61D0, 16 bytes long.
 Data: <XT~&#188;            > 58 54 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000214BC7E5870, 16 bytes long.
 Data: <0T~&#188;            > 30 54 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000214BC7E5C30, 16 bytes long.
 Data: < T~&#188;            > 08 54 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000214BC7E58C0, 16 bytes long.
 Data: <&#224;S~&#188;            > E0 53 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000214BC7E4AA0, 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 0x00000214BC7E5EB0, 16 bytes long.
 Data: <x&#142;}&#188;            > 78 8E 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000214BC7E0000, 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 0x00000214BC7E5640, 16 bytes long.
 Data: <P&#142;}&#188;            > 50 8E 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000214BC7E5BE0, 16 bytes long.
 Data: <(&#142;}&#188;            > 28 8E 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000214BC7E6310, 16 bytes long.
 Data: < &#142;}&#188;            > 00 8E 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000214BC7E5B40, 16 bytes long.
 Data: <&#216; }&#188;            > D8 8D 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000214BC7E5E60, 16 bytes long.
 Data: <&#176; }&#188;            > B0 8D 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000214BC7E5820, 16 bytes long.
 Data: <  }&#188;            > 88 8D 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000214BC7DF4C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x00000214BC7E64F0, 16 bytes long.
 Data: <` }&#188;            > 60 8D 7D BC 14 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000214BC7D8D60, 320 bytes long.
 Data: <&#240;d~&#188;    &#192;&#244;}&#188;    > F0 64 7E BC 14 02 00 00 C0 F4 7D BC 14 02 00 00 
{273} normal block at 0x00000214BC7E6180, 16 bytes long.
 Data: <&#192;S~&#188;            > C0 53 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000214BC7E55F0, 16 bytes long.
 Data: < S~&#188;            > 98 53 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000214BC7DF940, 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 0x00000214BC7E5FA0, 16 bytes long.
 Data: <pS~&#188;            > 70 53 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000214BC7DFD00, 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 0x00000214BC7E5DC0, 16 bytes long.
 Data: <&#184;R~&#188;            > B8 52 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000214BC7E5690, 16 bytes long.
 Data: < R~&#188;            > 90 52 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000214BC7E6090, 16 bytes long.
 Data: <hR~&#188;            > 68 52 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000214BC7E5E10, 16 bytes long.
 Data: <@R~&#188;            > 40 52 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000214BC7E5D70, 16 bytes long.
 Data: < R~&#188;            > 18 52 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000214BC7DEFD0, 16 bytes long.
 Data: <&#240;Q~&#188;            > F0 51 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000214BC7DEDA0, 16 bytes long.
 Data: <@F~&#188;            > 40 46 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000214BC7E4640, 40 bytes long.
 Data: <&#160;&#237;}&#188;     K~&#188;    > A0 ED 7D BC 14 02 00 00 10 4B 7E BC 14 02 00 00 
{259} normal block at 0x00000214BC7DED50, 16 bytes long.
 Data: <&#208;Q~&#188;            > D0 51 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000214BC7DEF80, 16 bytes long.
 Data: <&#168;Q~&#188;            > A8 51 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000214BC7DF880, 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 0x00000214BC7DE8A0, 16 bytes long.
 Data: < Q~&#188;            > 80 51 7E BC 14 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000214BC7E5180, 992 bytes long.
 Data: <&#160;&#232;}&#188;     &#248;}&#188;    > A0 E8 7D BC 14 02 00 00 80 F8 7D BC 14 02 00 00 
{91} normal block at 0x00000214BC7DF640, 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 0x00000214BC7DEC10, 16 bytes long.
 Data: <&#176;&#237;|&#188;            > B0 ED 7C BC 14 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000214BC7CEDB0, 40 bytes long.
 Data: < &#236;}&#188;    @&#246;}&#188;    > 10 EC 7D BC 14 02 00 00 40 F6 7D BC 14 02 00 00 
{68} normal block at 0x00000214BC7DF2F0, 16 bytes long.
 Data: < &#234; 6&#246;           > 80 EA 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000214BC7DE760, 16 bytes long.
 Data: <@&#233; 6&#246;           > 40 E9 0C 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000214BC7DF200, 16 bytes long.
 Data: <&#248;W	6&#246;           > F8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000214BC7DED00, 16 bytes long.
 Data: <&#216;W	6&#246;           > D8 57 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000214BC7DE5D0, 16 bytes long.
 Data: <P 	6&#246;           > 50 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000214BC7DF160, 16 bytes long.
 Data: <0 	6&#246;           > 30 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000214BC7DE6C0, 16 bytes long.
 Data: <&#224; 	6&#246;           > E0 02 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000214BC7DE440, 16 bytes long.
 Data: <  	6&#246;           > 10 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000214BC7DEBC0, 16 bytes long.
 Data: <p 	6&#246;           > 70 04 09 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000214BC7DE9E0, 16 bytes long.
 Data: < &#192; 6&#246;           > 18 C0 07 36 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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