Task 38685383

Name test_920-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1622_0
Workunit 31626852
Created 27 Oct 2026, 20:48:01 UTC
Sent 27 Oct 2026, 20:48:02 UTC
Report deadline 1 Nov 2026, 20:48:02 UTC
Received 28 Oct 2026, 1:33:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 31 min 42 sec
CPU time 1 hours 19 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.29 MB
Peak swap size 5.24 GB
Peak disk usage 4.00 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:03:22 (9480): wrapper (7.9.26016): starting
17:03:22 (9480): 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
17:03:26 (9480): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:03:26 (9480): 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\2\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\2\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
18:33:03 (9480): C:/Windows/system32/cmd.exe exited; CPU time 4766.000000
18:33:07 (9480): 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: 74481173 bytes.
Dumping objects ->
{3835221} normal block at 0x0000015549C20F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000015549C20D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x0000015549C21790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x0000015549C218E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x0000015549C21330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x0000015549CCEDE0, 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) : {3835133} normal block at 0x00000155481D9080, 8 bytes long.
 Data: <   HU   > 00 00 16 48 55 01 00 00 
{3833949} normal block at 0x00000155481D86D0, 8 bytes long.
 Data: <&#176;>&#207;IU   > B0 3E CF 49 55 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000155481E2F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000155481C6120, 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 0x00000155481E48F0, 16 bytes long.
 Data: < ` HU           > 08 60 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000155481E3E50, 16 bytes long.
 Data: <&#224;_ HU           > E0 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000155481DEF40, 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 0x00000155481E47B0, 16 bytes long.
 Data: <&#184;_ HU           > B8 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000155481E41C0, 16 bytes long.
 Data: < _ HU           > 90 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000155481E3E00, 16 bytes long.
 Data: <h_ HU           > 68 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000155481E3DB0, 16 bytes long.
 Data: <@_ HU           > 40 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000155481DD760, 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 0x00000155481E4530, 16 bytes long.
 Data: <&#184;&#236; HU           > B8 EC 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000155481DF0C0, 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 0x00000155481E4260, 16 bytes long.
 Data: < &#236; HU           > 90 EC 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000155481E40D0, 16 bytes long.
 Data: <h&#236; HU           > 68 EC 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000155481E3D60, 16 bytes long.
 Data: <@&#236; HU           > 40 EC 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000155481E4B20, 16 bytes long.
 Data: < &#236; HU           > 18 EC 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000155481E3F90, 16 bytes long.
 Data: <&#240;&#235; HU           > F0 EB 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000155481E4C10, 16 bytes long.
 Data: <&#200;&#235; HU           > C8 EB 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000155481DEE80, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x00000155481E4850, 16 bytes long.
 Data: <&#160;&#235; HU           > A0 EB 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000155481DEBA0, 320 bytes long.
 Data: <PH HU    &#238; HU   > 50 48 1E 48 55 01 00 00 80 EE 1D 48 55 01 00 00 
{270} normal block at 0x00000155481E4170, 16 bytes long.
 Data: < _ HU           > 20 5F 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000155481E4080, 16 bytes long.
 Data: <&#248;^ HU           > F8 5E 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000155481DFA20, 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 0x00000155481E4300, 16 bytes long.
 Data: <&#208;^ HU           > D0 5E 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000155481DF900, 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 0x00000155481E4210, 16 bytes long.
 Data: < ^ HU           > 18 5E 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000155481E48A0, 16 bytes long.
 Data: <&#240;] HU           > F0 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000155481E44E0, 16 bytes long.
 Data: <&#200;] HU           > C8 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000155481E4490, 16 bytes long.
 Data: <&#160;] HU           > A0 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000155481E3EF0, 16 bytes long.
 Data: <x] HU           > 78 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000155481E3D10, 16 bytes long.
 Data: <P] HU           > 50 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000155481E4BC0, 16 bytes long.
 Data: < &#217; HU           > 20 D9 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000155481DD920, 40 bytes long.
 Data: <&#192;K HU   &#224;&#237;&#204;IU   > C0 4B 1E 48 55 01 00 00 E0 ED CC 49 55 01 00 00 
{256} normal block at 0x00000155481E49E0, 16 bytes long.
 Data: <0] HU           > 30 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000155481E3EA0, 16 bytes long.
 Data: < ] HU           > 08 5D 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000155481DF8A0, 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 0x00000155481E4120, 16 bytes long.
 Data: <&#224;\ HU           > E0 5C 1E 48 55 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000155481E5CE0, 992 bytes long.
 Data: < A HU   &#160;&#248; HU   > 20 41 1E 48 55 01 00 00 A0 F8 1D 48 55 01 00 00 
{88} normal block at 0x00000155481DF540, 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 0x00000155481D8A40, 16 bytes long.
 Data: <&#240;&#214; HU           > F0 D6 1D 48 55 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000155481DD6F0, 40 bytes long.
 Data: <@&#138; HU   @&#245; HU   > 40 8A 1D 48 55 01 00 00 40 F5 1D 48 55 01 00 00 
{65} normal block at 0x00000155481D8A90, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000155481D8D60, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000155481D89F0, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000155481D9120, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000155481D8860, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000155481D85E0, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000155481D9030, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000155481D8EF0, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000155481D9530, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000155481D8950, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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