Task 38681238

Name test_210-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND6959_0
Workunit 31622914
Created 27 Oct 2026, 3:13:03 UTC
Sent 27 Oct 2026, 3:13:06 UTC
Report deadline 1 Nov 2026, 3:13:06 UTC
Received 27 Oct 2026, 4:28:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 563109
Run time 1 hours 9 min 15 sec
CPU time 58 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 647.68 MB
Peak swap size 2.23 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:21:12 (9300): wrapper (7.9.26016): starting
21:21:12 (9300): 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
21:21:15 (9300): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:15 (9300): 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\0\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\0\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
22:27:26 (9300): C:/Windows/system32/cmd.exe exited; CPU time 3501.375000
22:27:26 (9300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 43325445 bytes.
Dumping objects ->
{3835251} normal block at 0x00000228ACB04970, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000228ACB04820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000228ACB04F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835218} normal block at 0x00000228ACB05620, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835207} normal block at 0x00000228ACB04B30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835176} normal block at 0x00000228AC9EB5C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x00000228AAEE2720, 235 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) : {3835162} normal block at 0x00000228AAED69F0, 8 bytes long.
 Data: <  &#234;&#170;(   > 00 00 EA AA 28 02 00 00 
{3834555} normal block at 0x00000228AAEE1ED0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000228AAED6B80, 8 bytes long.
 Data: < !&#245;&#170;(   > 80 21 F5 AA 28 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000228AAEDFE40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000228AAECA990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000228AAEE1C40, 16 bytes long.
 Data: <86&#238;&#170;(           > 38 36 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000228AAEE1830, 16 bytes long.
 Data: < 6&#238;&#170;(           > 10 36 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000228AAEDC370, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000228AAEE0F70, 16 bytes long.
 Data: <&#232;5&#238;&#170;(           > E8 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000228AAEE1560, 16 bytes long.
 Data: <&#192;5&#238;&#170;(           > C0 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000228AAEE1B50, 16 bytes long.
 Data: < 5&#238;&#170;(           > 98 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000228AAEE1510, 16 bytes long.
 Data: <p5&#238;&#170;(           > 70 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000228AAEDB460, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000228AAEE1B00, 16 bytes long.
 Data: <8&#194;&#237;&#170;(           > 38 C2 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000228AAEDD210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000228AAEE17E0, 16 bytes long.
 Data: < &#194;&#237;&#170;(           > 10 C2 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000228AAEE1AB0, 16 bytes long.
 Data: <&#232;&#193;&#237;&#170;(           > E8 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000228AAEE13D0, 16 bytes long.
 Data: <&#192;&#193;&#237;&#170;(           > C0 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000228AAEE19C0, 16 bytes long.
 Data: < &#193;&#237;&#170;(           > 98 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000228AAEE1650, 16 bytes long.
 Data: <p&#193;&#237;&#170;(           > 70 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000228AAEE0F20, 16 bytes long.
 Data: <H&#193;&#237;&#170;(           > 48 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000228AAEDCA30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{270} normal block at 0x00000228AAEE11F0, 16 bytes long.
 Data: < &#193;&#237;&#170;(           > 20 C1 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000228AAEDC120, 320 bytes long.
 Data: <&#240; &#238;&#170;(   0&#202;&#237;&#170;(   > F0 11 EE AA 28 02 00 00 30 CA ED AA 28 02 00 00 
{268} normal block at 0x00000228AAEE1150, 16 bytes long.
 Data: <P5&#238;&#170;(           > 50 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000228AAEE1380, 16 bytes long.
 Data: <(5&#238;&#170;(           > 28 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000228AAEDCAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000228AAEE14C0, 16 bytes long.
 Data: < 5&#238;&#170;(           > 00 35 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000228AAEDC670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000228AAEE0DE0, 16 bytes long.
 Data: <H4&#238;&#170;(           > 48 34 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000228AAEE1600, 16 bytes long.
 Data: < 4&#238;&#170;(           > 20 34 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000228AAEE1790, 16 bytes long.
 Data: <&#248;3&#238;&#170;(           > F8 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000228AAEE0FC0, 16 bytes long.
 Data: <&#208;3&#238;&#170;(           > D0 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000228AAEE1330, 16 bytes long.
 Data: <&#168;3&#238;&#170;(           > A8 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000228AAEE1BA0, 16 bytes long.
 Data: < 3&#238;&#170;(           > 80 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000228AAEE0D90, 16 bytes long.
 Data: <&#208;&#180;&#237;&#170;(           > D0 B4 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000228AAEDB4D0, 40 bytes long.
 Data: <  &#238;&#170;(   &#192;&#181;&#158;&#172;(   > 90 0D EE AA 28 02 00 00 C0 B5 9E AC 28 02 00 00 
{254} normal block at 0x00000228AAEE1CE0, 16 bytes long.
 Data: <`3&#238;&#170;(           > 60 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000228AAEE16A0, 16 bytes long.
 Data: <83&#238;&#170;(           > 38 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000228AAEDCEB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000228AAEE1A60, 16 bytes long.
 Data: < 3&#238;&#170;(           > 10 33 EE AA 28 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000228AAEE3310, 992 bytes long.
 Data: <` &#238;&#170;(   &#176;&#206;&#237;&#170;(   > 60 1A EE AA 28 02 00 00 B0 CE ED AA 28 02 00 00 
{86} normal block at 0x00000228AAEDC970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000228AAED6680, 16 bytes long.
 Data: <&#160;&#178;&#237;&#170;(           > A0 B2 ED AA 28 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000228AAEDB2A0, 40 bytes long.
 Data: < f&#237;&#170;(   p&#201;&#237;&#170;(   > 80 66 ED AA 28 02 00 00 70 C9 ED AA 28 02 00 00 
{63} normal block at 0x00000228AAED6400, 16 bytes long.
 Data: < &#234;j&#190;&#247;           > 80 EA 6A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000228AAED6360, 16 bytes long.
 Data: <@&#233;j&#190;&#247;           > 40 E9 6A BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000228AAED6D10, 16 bytes long.
 Data: <&#248;Wg&#190;&#247;           > F8 57 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000228AAED7170, 16 bytes long.
 Data: <&#216;Wg&#190;&#247;           > D8 57 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000228AAED69A0, 16 bytes long.
 Data: <P g&#190;&#247;           > 50 04 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000228AAED6F90, 16 bytes long.
 Data: <0 g&#190;&#247;           > 30 04 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000228AAED6CC0, 16 bytes long.
 Data: <&#224; g&#190;&#247;           > E0 02 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000228AAED6630, 16 bytes long.
 Data: <  g&#190;&#247;           > 10 04 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000228AAED6C70, 16 bytes long.
 Data: <p g&#190;&#247;           > 70 04 67 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000228AAED6900, 16 bytes long.
 Data: < &#192;e&#190;&#247;           > 18 C0 65 BE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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