Task 38672612

Name test_484-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND3527_0
Workunit 31614740
Created 25 Oct 2026, 23:55:33 UTC
Sent 25 Oct 2026, 23:55:36 UTC
Report deadline 30 Oct 2026, 23:55:36 UTC
Received 26 Oct 2026, 0:19:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 22 min 50 sec
CPU time 18 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.21 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:56:44 (40664): wrapper (7.9.26016): starting
00:56:44 (40664): 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
00:56:45 (40664): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:56:45 (40664): 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\15\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\15\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
01:18:38 (40664): C:/Windows/system32/cmd.exe exited; CPU time 1089.484375
01:18:38 (40664): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34212385 bytes.
Dumping objects ->
{3835618} normal block at 0x000001B515FACE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x000001B515FACC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x000001B5142B4A70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x000001B5142B48B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x000001B5142B4B50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x000001B515FF6A70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x000001B51600E5B0, 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) : {3835529} normal block at 0x000001B5142AF270, 8 bytes long.
 Data: <  $ &#181;   > 00 00 24 14 B5 01 00 00 
{3834721} normal block at 0x000001B51600E870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001B5142AF130, 8 bytes long.
 Data: < 3  &#181;   > 20 33 05 16 B5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B5142B0AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B5142A60C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B5142B5660, 16 bytes long.
 Data: < h+ &#181;           > 08 68 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B5142B5AC0, 16 bytes long.
 Data: <&#224;g+ &#181;           > E0 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B5142AF830, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B5142B5FC0, 16 bytes long.
 Data: <&#184;g+ &#181;           > B8 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B5142B5520, 16 bytes long.
 Data: < g+ &#181;           > 90 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B5142B58E0, 16 bytes long.
 Data: <hg+ &#181;           > 68 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B5142B5B10, 16 bytes long.
 Data: <@g+ &#181;           > 40 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B5142B4BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B5142B5840, 16 bytes long.
 Data: < &#181;) &#181;           > 88 B5 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B5142AFDD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B5142B5F20, 16 bytes long.
 Data: <`&#181;) &#181;           > 60 B5 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B5142B5570, 16 bytes long.
 Data: <8&#181;) &#181;           > 38 B5 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B5142B61A0, 16 bytes long.
 Data: < &#181;) &#181;           > 10 B5 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B5142B62E0, 16 bytes long.
 Data: <&#232;&#180;) &#181;           > E8 B4 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B5142B5A70, 16 bytes long.
 Data: <&#192;&#180;) &#181;           > C0 B4 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B5142B5980, 16 bytes long.
 Data: < &#180;) &#181;           > 98 B4 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B5142B04F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B5142B5610, 16 bytes long.
 Data: <p&#180;) &#181;           > 70 B4 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B51429B470, 320 bytes long.
 Data: < V+ &#181;   &#240; + &#181;   > 10 56 2B 14 B5 01 00 00 F0 04 2B 14 B5 01 00 00 
{277} normal block at 0x000001B5142B6150, 16 bytes long.
 Data: < g+ &#181;           > 20 67 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B5142B5ED0, 16 bytes long.
 Data: <&#248;f+ &#181;           > F8 66 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B5142B01F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B5142B5C00, 16 bytes long.
 Data: <&#208;f+ &#181;           > D0 66 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B5142B0130, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B5142B61F0, 16 bytes long.
 Data: < f+ &#181;           > 18 66 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B5142B6470, 16 bytes long.
 Data: <&#240;e+ &#181;           > F0 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B5142B55C0, 16 bytes long.
 Data: <&#200;e+ &#181;           > C8 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B5142B6100, 16 bytes long.
 Data: <&#160;e+ &#181;           > A0 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B5142B5CF0, 16 bytes long.
 Data: <xe+ &#181;           > 78 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B5142B5C50, 16 bytes long.
 Data: <Pe+ &#181;           > 50 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B5142B5E80, 16 bytes long.
 Data: <`N+ &#181;           > 60 4E 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B5142B4E60, 40 bytes long.
 Data: < ^+ &#181;   pj&#255; &#181;   > 80 5E 2B 14 B5 01 00 00 70 6A FF 15 B5 01 00 00 
{263} normal block at 0x000001B5142B5930, 16 bytes long.
 Data: <0e+ &#181;           > 30 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B5142B5B60, 16 bytes long.
 Data: < e+ &#181;           > 08 65 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B5142AF9B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B5142B5E30, 16 bytes long.
 Data: <&#224;d+ &#181;           > E0 64 2B 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B5142B64E0, 992 bytes long.
 Data: <0^+ &#181;   &#176;&#249;* &#181;   > 30 5E 2B 14 B5 01 00 00 B0 F9 2A 14 B5 01 00 00 
{95} normal block at 0x000001B5142B0370, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B5142AEA50, 16 bytes long.
 Data: < &#239;) &#181;           > 20 EF 29 14 B5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B51429EF20, 40 bytes long.
 Data: <P&#234;* &#181;   p + &#181;   > 50 EA 2A 14 B5 01 00 00 70 03 2B 14 B5 01 00 00 
{72} normal block at 0x000001B5142AF180, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B5142AF770, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B5142AE8C0, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B5142AF4A0, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B5142AF590, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B5142AEDC0, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B5142AEC80, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B5142AF720, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B5142AE820, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B5142AF6D0, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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