Task 38696226

Name test_521-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0259_0
Workunit 31636870
Created 31 Oct 2026, 20:59:10 UTC
Sent 31 Oct 2026, 20:59:12 UTC
Report deadline 5 Nov 2026, 20:59:12 UTC
Received 31 Oct 2026, 23:02:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637393
Run time 2 hours 1 min 42 sec
CPU time 1 hours 58 min 42 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 750.07 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:01:11 (23608): wrapper (7.9.26016): starting
06:01:11 (23608): 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
06:01:15 (23608): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:01:15 (23608): 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
08:01:20 (23608): C:/Windows/system32/cmd.exe exited; CPU time 7122.343750
08:01:20 (23608): 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: 159027445 bytes.
Dumping objects ->
{3835638} normal block at 0x000001F24D100E60, 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 0x000001F24D2475A0, 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 0x000001F24D2470C0, 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 0x000001F24D247180, 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 0x000001F24D247A20, 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 0x000001F24D1007D0, 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 0x000001F24B195AF0, 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 0x000001F24B13EE00, 8 bytes long.
 Data: <   J    > 00 00 F9 4A F2 01 00 00 
{3834800} normal block at 0x000001F24B196A60, 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 0x000001F24B13E810, 8 bytes long.
 Data: <P&#220; K    > 50 DC 12 4B F2 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001F24B13B650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F24B135CD0, 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 0x000001F24B14D540, 16 bytes long.
 Data: <&#200;  K            > C8 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F24B14D400, 16 bytes long.
 Data: <   K            > A0 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F24B1490D0, 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 0x000001F24B14DC70, 16 bytes long.
 Data: <x  K            > 78 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F24B14DA40, 16 bytes long.
 Data: <P  K            > 50 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F24B14D3B0, 16 bytes long.
 Data: <(  K            > 28 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F24B14D4F0, 16 bytes long.
 Data: <   K            > 00 E3 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F24B142AD0, 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 0x000001F24B14D450, 16 bytes long.
 Data: <(; K            > 28 3B 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F24B149910, 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 0x000001F24B14DAE0, 16 bytes long.
 Data: < ; K            > 00 3B 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F24B14D5E0, 16 bytes long.
 Data: <&#216;: K            > D8 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F24B14D130, 16 bytes long.
 Data: <&#176;: K            > B0 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F24B14DBD0, 16 bytes long.
 Data: < : K            > 88 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F24B14DF90, 16 bytes long.
 Data: <`: K            > 60 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F24B14D7C0, 16 bytes long.
 Data: <8: K            > 38 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F24B1497F0, 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 0x000001F24B14DB80, 16 bytes long.
 Data: < : K            > 10 3A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F24B143A10, 320 bytes long.
 Data: < &#219; K       K    > 80 DB 14 4B F2 01 00 00 F0 97 14 4B F2 01 00 00 
{279} normal block at 0x000001F24B14DB30, 16 bytes long.
 Data: <   K            > E0 E2 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F24B14D9F0, 16 bytes long.
 Data: <&#184;  K            > B8 E2 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F24B149A30, 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 0x000001F24B14D860, 16 bytes long.
 Data: <   K            > 90 E2 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F24B149790, 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 0x000001F24B14D360, 16 bytes long.
 Data: <&#216;  K            > D8 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F24B14DE00, 16 bytes long.
 Data: <&#176;  K            > B0 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F24B14D590, 16 bytes long.
 Data: <   K            > 88 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F24B14D2C0, 16 bytes long.
 Data: <`  K            > 60 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F24B14DDB0, 16 bytes long.
 Data: <8  K            > 38 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F24B14DEA0, 16 bytes long.
 Data: <   K            > 10 E1 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F24B14D310, 16 bytes long.
 Data: <`* K            > 60 2A 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F24B142A60, 40 bytes long.
 Data: < &#211; K    &#208;  M    > 10 D3 14 4B F2 01 00 00 D0 07 10 4D F2 01 00 00 
{265} normal block at 0x000001F24B14D9A0, 16 bytes long.
 Data: <   K            > F0 E0 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F24B14D270, 16 bytes long.
 Data: <&#200;  K            > C8 E0 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F24B149E50, 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 0x000001F24B14DC20, 16 bytes long.
 Data: <   K            > A0 E0 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F24B14E0A0, 992 bytes long.
 Data: < &#220; K    P  K    > 20 DC 14 4B F2 01 00 00 50 9E 14 4B F2 01 00 00 
{97} normal block at 0x000001F24B1492B0, 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 0x000001F24B13E770, 16 bytes long.
 Data: <@+ K            > 40 2B 14 4B F2 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001F24B142B40, 40 bytes long.
 Data: <p  K    &#176;  K    > 70 E7 13 4B F2 01 00 00 B0 92 14 4B F2 01 00 00 
{72} normal block at 0x000001F24B13E6D0, 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 0x000001F24B13F210, 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 0x000001F24B13F1C0, 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 0x000001F24B13EBD0, 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 0x000001F24B13F580, 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 0x000001F24B13F170, 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 0x000001F24B13F120, 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 0x000001F24B13F0D0, 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 0x000001F24B13ECC0, 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 0x000001F24B13F620, 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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