Task 38673907

Name test_309-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1013_0
Workunit 31615963
Created 26 Oct 2026, 3:44:55 UTC
Sent 26 Oct 2026, 3:44:58 UTC
Report deadline 31 Oct 2026, 3:44:58 UTC
Received 26 Oct 2026, 4:43:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 614415
Run time 57 min 31 sec
CPU time 55 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.77 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
04:46:08 (13304): wrapper (7.9.26016): starting
04:46:08 (13304): 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
04:46:09 (13304): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:46:09 (13304): 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\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 'C:\ProgramData\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: Exiting with failure status due to previous errors
05:43:09 (13304): C:/Windows/system32/cmd.exe exited; CPU time 3322.390625
05:43:09 (13304): 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: 58479457 bytes.
Dumping objects ->
{3835501} normal block at 0x000002164C397AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x000002164C397FF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002164C397B20, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x000002164C3987D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002164A6C5B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x000002164C347210, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835413} normal block at 0x000002164A6BE370, 8 bytes long.
 Data: <  FL    > 00 00 46 4C 16 02 00 00 
{3833989} normal block at 0x000002164A6BEC30, 8 bytes long.
 Data: <&#224;g=L    > E0 67 3D 4C 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000002164A6C1F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000002164A6B6F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000002164A6C69E0, 16 bytes long.
 Data: <HzlJ            > 48 7A 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000002164A6C7660, 16 bytes long.
 Data: < zlJ            > 20 7A 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000002164A6C09E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000002164A6C75C0, 16 bytes long.
 Data: <&#248;ylJ            > F8 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000002164A6C6A80, 16 bytes long.
 Data: <&#208;ylJ            > D0 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002164A6C7520, 16 bytes long.
 Data: <&#168;ylJ            > A8 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000002164A6C7110, 16 bytes long.
 Data: < ylJ            > 80 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002164A6C5BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000002164A6C74D0, 16 bytes long.
 Data: <H kJ            > 48 0A 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000002164A6C11C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000002164A6C7570, 16 bytes long.
 Data: <  kJ            > 20 0A 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002164A6C70C0, 16 bytes long.
 Data: <&#248;	kJ            > F8 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002164A6C7020, 16 bytes long.
 Data: <&#208;	kJ            > D0 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002164A6C76B0, 16 bytes long.
 Data: <&#168;	kJ            > A8 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002164A6C6F30, 16 bytes long.
 Data: < 	kJ            > 80 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002164A6C7480, 16 bytes long.
 Data: <X	kJ            > 58 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002164A6C15E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000002164A6C7430, 16 bytes long.
 Data: <0	kJ            > 30 09 6B 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002164A6B0930, 320 bytes long.
 Data: <0tlJ    &#224; lJ    > 30 74 6C 4A 16 02 00 00 E0 15 6C 4A 16 02 00 00 
{290} normal block at 0x000002164A6C7390, 16 bytes long.
 Data: <`ylJ            > 60 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002164A6C72F0, 16 bytes long.
 Data: <8ylJ            > 38 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002164A6C0B00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000002164A6C73E0, 16 bytes long.
 Data: < ylJ            > 10 79 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002164A6C0E00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000002164A6C72A0, 16 bytes long.
 Data: <XxlJ            > 58 78 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002164A6C6FD0, 16 bytes long.
 Data: <0xlJ            > 30 78 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002164A6C67B0, 16 bytes long.
 Data: < xlJ            > 08 78 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002164A6C7610, 16 bytes long.
 Data: <&#224;wlJ            > E0 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002164A6C7200, 16 bytes long.
 Data: <&#184;wlJ            > B8 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002164A6C6EE0, 16 bytes long.
 Data: < wlJ            > 90 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002164A6C7340, 16 bytes long.
 Data: <&#160;\lJ            > A0 5C 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002164A6C5CA0, 40 bytes long.
 Data: <@slJ     r4L    > 40 73 6C 4A 16 02 00 00 10 72 34 4C 16 02 00 00 
{276} normal block at 0x000002164A6C6990, 16 bytes long.
 Data: <pwlJ            > 70 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002164A6C6D00, 16 bytes long.
 Data: <HwlJ            > 48 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002164A6C1400, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000002164A6C6F80, 16 bytes long.
 Data: < wlJ            > 20 77 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002164A6C7720, 992 bytes long.
 Data: < olJ      lJ    > 80 6F 6C 4A 16 02 00 00 00 14 6C 4A 16 02 00 00 
{108} normal block at 0x000002164A6C14C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000002164A6BEB40, 16 bytes long.
 Data: < `lJ            > 90 60 6C 4A 16 02 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000002164A6C6090, 40 bytes long.
 Data: <@&#235;kJ    &#192; lJ    > 40 EB 6B 4A 16 02 00 00 C0 14 6C 4A 16 02 00 00 
{85} normal block at 0x000002164A6BE960, 16 bytes long.
 Data: < &#234; F&#246;           > 80 EA 0D 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002164A6BEC80, 16 bytes long.
 Data: <@&#233; F&#246;           > 40 E9 0D 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000002164A6BE780, 16 bytes long.
 Data: <&#248;W F&#246;           > F8 57 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000002164A6BE1E0, 16 bytes long.
 Data: <&#216;W F&#246;           > D8 57 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002164A6BECD0, 16 bytes long.
 Data: <P  F&#246;           > 50 04 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000002164A6BE5F0, 16 bytes long.
 Data: <0  F&#246;           > 30 04 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002164A6BEBE0, 16 bytes long.
 Data: <&#224;  F&#246;           > E0 02 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002164A6BEDC0, 16 bytes long.
 Data: <   F&#246;           > 10 04 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002164A6BE730, 16 bytes long.
 Data: <p  F&#246;           > 70 04 0A 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002164A6BEFF0, 16 bytes long.
 Data: < &#192; F&#246;           > 18 C0 08 46 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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