Task 38694793

Name test_96-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9565_0
Workunit 31635523
Created 31 Oct 2026, 2:17:45 UTC
Sent 31 Oct 2026, 2:17:45 UTC
Report deadline 5 Nov 2026, 2:17:45 UTC
Received 31 Oct 2026, 6:59:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 4 hours 36 min 54 sec
CPU time 4 hours 24 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,614.88 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.79 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
11:23:56 (37332): wrapper (7.9.26016): starting
11:23:56 (37332): 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
11:24:04 (37332): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:24:04 (37332): 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\data\slots\12\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\data\slots\12\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
15:58:42 (37332): C:/Windows/system32/cmd.exe exited; CPU time 15892.218750
15:58:42 (37332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
446 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: 355881657 bytes.
Dumping objects ->
{3835638} normal block at 0x000002F6DB8F08B0, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835627} normal block at 0x000002F6DBDD7DB0, 32 bytes long.
 Data: <HOME=D:\BOINC\da> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835616} normal block at 0x000002F6DBDD8110, 32 bytes long.
 Data: <TMP=D:\BOINC\dat> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835605} normal block at 0x000002F6DBDD8830, 32 bytes long.
 Data: <TEMP=D:\BOINC\da> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835594} normal block at 0x000002F6DBDD7510, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835563} normal block at 0x000002F6DB8F07D0, 48 bytes long.
 Data: <PATH=D:\BOINC\da> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835552} normal block at 0x000002F6D9D953E0, 135 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) : {3835549} normal block at 0x000002F6D9D3EA40, 8 bytes long.
 Data: <  &#176;&#217;    > 00 00 B0 D9 F6 02 00 00 
{3834800} normal block at 0x000002F6D9D95F40, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000002F6D9D3F0D0, 8 bytes long.
 Data: < &#218;&#221;&#219;    > 10 DA DD DB F6 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002F6D9D3A9D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002F6D9D361E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002F6D9D4A7F0, 16 bytes long.
 Data: <8&#181;&#212;&#217;            > 38 B5 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002F6D9D4A430, 16 bytes long.
 Data: < &#181;&#212;&#217;            > 10 B5 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002F6D9D449C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002F6D9D4AC50, 16 bytes long.
 Data: < &#180;&#212;&#217;            > E8 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002F6D9D4A3E0, 16 bytes long.
 Data: <&#192;&#180;&#212;&#217;            > C0 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002F6D9D4AB60, 16 bytes long.
 Data: < &#180;&#212;&#217;            > 98 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002F6D9D4B150, 16 bytes long.
 Data: <p&#180;&#212;&#217;            > 70 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002F6D9D460B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002F6D9D4B100, 16 bytes long.
 Data: < 5&#212;&#217;            > 08 35 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002F6D9D442A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002F6D9D4AAC0, 16 bytes long.
 Data: < 4&#212;&#217;            > E0 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002F6D9D4B0B0, 16 bytes long.
 Data: <&#184;4&#212;&#217;            > B8 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002F6D9D4A6B0, 16 bytes long.
 Data: < 4&#212;&#217;            > 90 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002F6D9D4A750, 16 bytes long.
 Data: <h4&#212;&#217;            > 68 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002F6D9D4AA20, 16 bytes long.
 Data: <@4&#212;&#217;            > 40 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002F6D9D4ADE0, 16 bytes long.
 Data: < 4&#212;&#217;            > 18 34 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002F6D9D445A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002F6D9D4A890, 16 bytes long.
 Data: < 3&#212;&#217;            > F0 33 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002F6D9D433F0, 320 bytes long.
 Data: < &#168;&#212;&#217;     E&#212;&#217;    > 90 A8 D4 D9 F6 02 00 00 A0 45 D4 D9 F6 02 00 00 
{279} normal block at 0x000002F6D9D4A4D0, 16 bytes long.
 Data: <P&#180;&#212;&#217;            > 50 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002F6D9D4AA70, 16 bytes long.
 Data: <(&#180;&#212;&#217;            > 28 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002F6D9D44CC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002F6D9D4AED0, 16 bytes long.
 Data: < &#180;&#212;&#217;            > 00 B4 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002F6D9D44F60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002F6D9D4A390, 16 bytes long.
 Data: <H&#179;&#212;&#217;            > 48 B3 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002F6D9D4A9D0, 16 bytes long.
 Data: < &#179;&#212;&#217;            > 20 B3 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002F6D9D4A340, 16 bytes long.
 Data: < &#178;&#212;&#217;            > F8 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002F6D9D4A2F0, 16 bytes long.
 Data: <&#208;&#178;&#212;&#217;            > D0 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002F6D9D4A700, 16 bytes long.
 Data: <&#168;&#178;&#212;&#217;            > A8 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002F6D9D4AB10, 16 bytes long.
 Data: < &#178;&#212;&#217;            > 80 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002F6D9D4B060, 16 bytes long.
 Data: <@`&#212;&#217;            > 40 60 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002F6D9D46040, 40 bytes long.
 Data: <`&#176;&#212;&#217;    &#208;  &#219;    > 60 B0 D4 D9 F6 02 00 00 D0 07 8F DB F6 02 00 00 
{265} normal block at 0x000002F6D9D4A840, 16 bytes long.
 Data: <`&#178;&#212;&#217;            > 60 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002F6D9D4A250, 16 bytes long.
 Data: <8&#178;&#212;&#217;            > 38 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002F6D9D44900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002F6D9D4ACA0, 16 bytes long.
 Data: < &#178;&#212;&#217;            > 10 B2 D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002F6D9D4B210, 992 bytes long.
 Data: < &#172;&#212;&#217;     I&#212;&#217;    > A0 AC D4 D9 F6 02 00 00 00 49 D4 D9 F6 02 00 00 
{97} normal block at 0x000002F6D9D44960, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002F6D9D3F2B0, 16 bytes long.
 Data: <`_&#212;&#217;            > 60 5F D4 D9 F6 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002F6D9D45F60, 40 bytes long.
 Data: <&#176; &#211;&#217;    `I&#212;&#217;    > B0 F2 D3 D9 F6 02 00 00 60 49 D4 D9 F6 02 00 00 
{72} normal block at 0x000002F6D9D3E9F0, 16 bytes long.
 Data: <  c&#170;            > 80 EA 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002F6D9D3F350, 16 bytes long.
 Data: <@ c&#170;            > 40 E9 63 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002F6D9D3F080, 16 bytes long.
 Data: < W`&#170;            > F8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002F6D9D3F170, 16 bytes long.
 Data: <&#216;W`&#170;            > D8 57 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002F6D9D3EBD0, 16 bytes long.
 Data: <P `&#170;            > 50 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002F6D9D3EE50, 16 bytes long.
 Data: <0 `&#170;            > 30 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002F6D9D3F300, 16 bytes long.
 Data: <  `&#170;            > E0 02 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002F6D9D3E720, 16 bytes long.
 Data: <  `&#170;            > 10 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002F6D9D3E9A0, 16 bytes long.
 Data: <p `&#170;            > 70 04 60 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002F6D9D3EE00, 16 bytes long.
 Data: < &#192;^&#170;            > 18 C0 5E AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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