Task 38689879

Name test_911-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND9178_1
Workunit 31595196
Created 29 Oct 2026, 0:23:15 UTC
Sent 29 Oct 2026, 0:23:22 UTC
Report deadline 3 Nov 2026, 0:23:22 UTC
Received 29 Oct 2026, 4:39:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630601
Run time 34 min 26 sec
CPU time 34 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 728.25 MB
Peak swap size 6.86 GB
Peak disk usage 3.32 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:01:19 (59032): wrapper (7.9.26016): starting
00:01:19 (59032): 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
00:01:20 (59032): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:01:20 (59032): 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\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 'C:\ProgramData\BOINC\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
00:37:17 (59032): C:/Windows/system32/cmd.exe exited; CPU time 2066.359375
00:37:17 (59032): 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: 58388543 bytes.
Dumping objects ->
{3835284} normal block at 0x000001D06C1EA6A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x000001D06C1EA390, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000001D06C1EA630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x000001D06C1EA240, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x000001D06C1E9F30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x000001D06DE964A0, 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) : {3835196} normal block at 0x000001D06C1BE400, 8 bytes long.
 Data: <   l&#208;   > 00 00 16 6C D0 01 00 00 
{3833971} normal block at 0x000001D06C1BDFF0, 8 bytes long.
 Data: <&#192;&#188; l&#208;   > C0 BC 1E 6C D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D06C1C2ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D06C1B7820, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001D06C1C7590, 16 bytes long.
 Data: <xy l&#208;           > 78 79 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D06C1C6960, 16 bytes long.
 Data: <Py l&#208;           > 50 79 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D06C1C06F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001D06C1C6730, 16 bytes long.
 Data: <(y l&#208;           > 28 79 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D06C1C66E0, 16 bytes long.
 Data: < y l&#208;           > 00 79 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D06C1C6E10, 16 bytes long.
 Data: <&#216;x l&#208;           > D8 78 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D06C1C6910, 16 bytes long.
 Data: <&#176;x l&#208;           > B0 78 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D06C1C1860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001D06C1C7270, 16 bytes long.
 Data: <&#232;&#251; l&#208;           > E8 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D06C1C0450, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001D06C1C6C30, 16 bytes long.
 Data: <&#192;&#251; l&#208;           > C0 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D06C1C6B90, 16 bytes long.
 Data: < &#251; l&#208;           > 98 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D06C1C7540, 16 bytes long.
 Data: <p&#251; l&#208;           > 70 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D06C1C7180, 16 bytes long.
 Data: <H&#251; l&#208;           > 48 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D06C1C6690, 16 bytes long.
 Data: < &#251; l&#208;           > 20 FB 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D06C1C6D70, 16 bytes long.
 Data: <&#248;&#250; l&#208;           > F8 FA 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D06C1C0DB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001D06C1C6DC0, 16 bytes long.
 Data: <&#208;&#250; l&#208;           > D0 FA 1A 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D06C1AFAD0, 320 bytes long.
 Data: <&#192;m l&#208;   &#176;  l&#208;   > C0 6D 1C 6C D0 01 00 00 B0 0D 1C 6C D0 01 00 00 
{281} normal block at 0x000001D06C1C70E0, 16 bytes long.
 Data: < x l&#208;           > 90 78 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D06C1C74F0, 16 bytes long.
 Data: <hx l&#208;           > 68 78 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D06C1C0BD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001D06C1C75E0, 16 bytes long.
 Data: <@x l&#208;           > 40 78 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D06C1C0990, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001D06C1C7450, 16 bytes long.
 Data: < w l&#208;           > 88 77 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D06C1C68C0, 16 bytes long.
 Data: <`w l&#208;           > 60 77 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D06C1C6B40, 16 bytes long.
 Data: <8w l&#208;           > 38 77 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D06C1C6870, 16 bytes long.
 Data: < w l&#208;           > 10 77 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D06C1C7090, 16 bytes long.
 Data: <&#232;v l&#208;           > E8 76 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D06C1C73B0, 16 bytes long.
 Data: <&#192;v l&#208;           > C0 76 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D06C1C6FA0, 16 bytes long.
 Data: <&#176;  l&#208;           > B0 19 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D06C1C19B0, 40 bytes long.
 Data: <&#160;o l&#208;   &#160;d&#233;m&#208;   > A0 6F 1C 6C D0 01 00 00 A0 64 E9 6D D0 01 00 00 
{267} normal block at 0x000001D06C1C7130, 16 bytes long.
 Data: <&#160;v l&#208;           > A0 76 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D06C1C7220, 16 bytes long.
 Data: <xv l&#208;           > 78 76 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D06C1C0E70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001D06C1C74A0, 16 bytes long.
 Data: <Pv l&#208;           > 50 76 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D06C1C7650, 992 bytes long.
 Data: <&#160;t l&#208;   p  l&#208;   > A0 74 1C 6C D0 01 00 00 70 0E 1C 6C D0 01 00 00 
{99} normal block at 0x000001D06C1C12F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001D06C1BE8B0, 16 bytes long.
 Data: <   l&#208;           > 80 17 1C 6C D0 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D06C1C1780, 40 bytes long.
 Data: <&#176;&#232; l&#208;   &#240;  l&#208;   > B0 E8 1B 6C D0 01 00 00 F0 12 1C 6C D0 01 00 00 
{76} normal block at 0x000001D06C1BEE00, 16 bytes long.
 Data: < &#234;&#161;&#187;&#247;           > 80 EA A1 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D06C1BE040, 16 bytes long.
 Data: <@&#233;&#161;&#187;&#247;           > 40 E9 A1 BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D06C1BE810, 16 bytes long.
 Data: <&#248;W&#158;&#187;&#247;           > F8 57 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D06C1BE720, 16 bytes long.
 Data: <&#216;W&#158;&#187;&#247;           > D8 57 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D06C1BE1D0, 16 bytes long.
 Data: <P &#158;&#187;&#247;           > 50 04 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D06C1BE180, 16 bytes long.
 Data: <0 &#158;&#187;&#247;           > 30 04 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D06C1BEDB0, 16 bytes long.
 Data: <&#224; &#158;&#187;&#247;           > E0 02 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D06C1BEBD0, 16 bytes long.
 Data: <  &#158;&#187;&#247;           > 10 04 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D06C1BE0E0, 16 bytes long.
 Data: <p &#158;&#187;&#247;           > 70 04 9E BB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D06C1BE2C0, 16 bytes long.
 Data: < &#192;&#156;&#187;&#247;           > 18 C0 9C BB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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