Task 38699000

Name test_270-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8481_0
Workunit 31639453
Created 3 Nov 2026, 10:01:25 UTC
Sent 3 Nov 2026, 10:01:29 UTC
Report deadline 8 Nov 2026, 10:01:29 UTC
Received 3 Nov 2026, 17:30:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 485535
Run time 1 hours 4 min 50 sec
CPU time 57 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 681.39 MB
Peak swap size 2.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:26:43 (7528): wrapper (7.9.26016): starting
17:26:43 (7528): 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
17:26:46 (7528): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:26:46 (7528): 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\1\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\1\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
18:28:56 (7528): C:/Windows/system32/cmd.exe exited; CPU time 3429.968750
18:28:56 (7528): 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: 50730163 bytes.
Dumping objects ->
{3835416} normal block at 0x00000197BCAB0B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835405} normal block at 0x00000197BCAB1100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835394} normal block at 0x00000197BCAB1330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835383} normal block at 0x00000197BCAB1020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x00000197BCAB16B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835341} normal block at 0x00000197BCB5B940, 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) : {3835328} normal block at 0x00000197BB136C90, 8 bytes long.
 Data: <   &#187;&#151;   > 00 00 0E BB 97 01 00 00 
{3833949} normal block at 0x00000197BB136420, 8 bytes long.
 Data: <p&#181; &#187;&#151;   > 70 B5 12 BB 97 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000197BB13C310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000197BB125C70, 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 0x00000197BB142530, 16 bytes long.
 Data: <&#200;6 &#187;&#151;           > C8 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000197BB142170, 16 bytes long.
 Data: <&#160;6 &#187;&#151;           > A0 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000197BB13C580, 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 0x00000197BB142440, 16 bytes long.
 Data: <x6 &#187;&#151;           > 78 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000197BB1429E0, 16 bytes long.
 Data: <P6 &#187;&#151;           > 50 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000197BB142080, 16 bytes long.
 Data: <(6 &#187;&#151;           > 28 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000197BB142BC0, 16 bytes long.
 Data: < 6 &#187;&#151;           > 00 36 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000197BB13B530, 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 0x00000197BB142B70, 16 bytes long.
 Data: < \ &#187;&#151;           > 08 5C 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000197BB13C520, 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 0x00000197BB142030, 16 bytes long.
 Data: <&#224;[ &#187;&#151;           > E0 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000197BB1425D0, 16 bytes long.
 Data: <&#184;[ &#187;&#151;           > B8 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000197BB141FE0, 16 bytes long.
 Data: < [ &#187;&#151;           > 90 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000197BB142F30, 16 bytes long.
 Data: <h[ &#187;&#151;           > 68 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000197BB142C10, 16 bytes long.
 Data: <@[ &#187;&#151;           > 40 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000197BB142B20, 16 bytes long.
 Data: < [ &#187;&#151;           > 18 5B 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000197BB13C9A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x00000197BB142A80, 16 bytes long.
 Data: <&#240;Z &#187;&#151;           > F0 5A 12 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000197BB125AF0, 320 bytes long.
 Data: < * &#187;&#151;   &#160;&#201; &#187;&#151;   > 80 2A 14 BB 97 01 00 00 A0 C9 13 BB 97 01 00 00 
{270} normal block at 0x00000197BB142990, 16 bytes long.
 Data: <&#224;5 &#187;&#151;           > E0 35 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000197BB142120, 16 bytes long.
 Data: <&#184;5 &#187;&#151;           > B8 35 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000197BB13CC40, 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 0x00000197BB142E90, 16 bytes long.
 Data: < 5 &#187;&#151;           > 90 35 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000197BB13C6A0, 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 0x00000197BB1428A0, 16 bytes long.
 Data: <&#216;4 &#187;&#151;           > D8 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000197BB142DA0, 16 bytes long.
 Data: <&#176;4 &#187;&#151;           > B0 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000197BB1424E0, 16 bytes long.
 Data: < 4 &#187;&#151;           > 88 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000197BB142350, 16 bytes long.
 Data: <`4 &#187;&#151;           > 60 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000197BB1421C0, 16 bytes long.
 Data: <84 &#187;&#151;           > 38 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000197BB1426C0, 16 bytes long.
 Data: < 4 &#187;&#151;           > 10 34 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000197BB1420D0, 16 bytes long.
 Data: <&#176;&#177; &#187;&#151;           > B0 B1 13 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000197BB13B1B0, 40 bytes long.
 Data: <&#208;  &#187;&#151;   @&#185;&#181;&#188;&#151;   > D0 20 14 BB 97 01 00 00 40 B9 B5 BC 97 01 00 00 
{256} normal block at 0x00000197BB142850, 16 bytes long.
 Data: <&#240;3 &#187;&#151;           > F0 33 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000197BB1427B0, 16 bytes long.
 Data: <&#200;3 &#187;&#151;           > C8 33 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000197BB13D360, 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 0x00000197BB142760, 16 bytes long.
 Data: <&#160;3 &#187;&#151;           > A0 33 14 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000197BB1433A0, 992 bytes long.
 Data: <`' &#187;&#151;   `&#211; &#187;&#151;   > 60 27 14 BB 97 01 00 00 60 D3 13 BB 97 01 00 00 
{88} normal block at 0x00000197BB13CA00, 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 0x00000197BB136DD0, 16 bytes long.
 Data: < &#179; &#187;&#151;           > 00 B3 13 BB 97 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000197BB13B300, 40 bytes long.
 Data: <&#208;m &#187;&#151;    &#202; &#187;&#151;   > D0 6D 13 BB 97 01 00 00 00 CA 13 BB 97 01 00 00 
{65} normal block at 0x00000197BB1365B0, 16 bytes long.
 Data: < &#234;]Z&#247;           > 80 EA 5D 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000197BB136A10, 16 bytes long.
 Data: <@&#233;]Z&#247;           > 40 E9 5D 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000197BB136BF0, 16 bytes long.
 Data: <&#248;WZZ&#247;           > F8 57 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000197BB137280, 16 bytes long.
 Data: <&#216;WZZ&#247;           > D8 57 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000197BB136D80, 16 bytes long.
 Data: <P ZZ&#247;           > 50 04 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000197BB136790, 16 bytes long.
 Data: <0 ZZ&#247;           > 30 04 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000197BB1369C0, 16 bytes long.
 Data: <&#224; ZZ&#247;           > E0 02 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000197BB136740, 16 bytes long.
 Data: <  ZZ&#247;           > 10 04 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000197BB136BA0, 16 bytes long.
 Data: <p ZZ&#247;           > 70 04 5A 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000197BB136A60, 16 bytes long.
 Data: < &#192;XZ&#247;           > 18 C0 58 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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