Task 38647559

Name test_450-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND9461_0
Workunit 31592287
Created 23 Oct 2026, 20:13:24 UTC
Sent 23 Oct 2026, 20:48:20 UTC
Report deadline 28 Oct 2026, 20:48:20 UTC
Received 23 Oct 2026, 21:43:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637963
Run time 44 min 39 sec
CPU time 42 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.34 MB
Peak swap size 6.89 GB
Peak disk usage 3.41 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:58:39 (5452): wrapper (7.9.26016): starting
16:58:39 (5452): 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
16:58:40 (5452): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:58:40 (5452): 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\16\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\16\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
17:42:32 (5452): C:/Windows/system32/cmd.exe exited; CPU time 2563.968750
17:42:32 (5452): 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: 43184429 bytes.
Dumping objects ->
{3835451} normal block at 0x00000242F6BA0EB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x00000242F6BA0820, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x00000242F6BA0580, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x00000242F6BA0510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x00000242F4E94D40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x00000242F6BED160, 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) : {3835363} normal block at 0x00000242F4E91370, 8 bytes long.
 Data: <  K&#245;B   > 00 00 4B F5 42 02 00 00 
{3833971} normal block at 0x00000242F4E91640, 8 bytes long.
 Data: < &#220;&#191;&#246;B   > 80 DC BF F6 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000242F4E8C370, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000242F4E86370, 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 0x00000242F4E99DF0, 16 bytes long.
 Data: <h&#168;&#233;&#244;B           > 68 A8 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000242F4E99760, 16 bytes long.
 Data: <@&#168;&#233;&#244;B           > 40 A8 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000242F4E939D0, 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 0x00000242F4E99DA0, 16 bytes long.
 Data: < &#168;&#233;&#244;B           > 18 A8 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000242F4E996C0, 16 bytes long.
 Data: <&#240;&#167;&#233;&#244;B           > F0 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000242F4E99A30, 16 bytes long.
 Data: <&#200;&#167;&#233;&#244;B           > C8 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000242F4E9A2A0, 16 bytes long.
 Data: <&#160;&#167;&#233;&#244;B           > A0 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000242F4E94FE0, 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 0x00000242F4E9A1B0, 16 bytes long.
 Data: < (&#232;&#244;B           > 88 28 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000242F4E93910, 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 0x00000242F4E99B20, 16 bytes long.
 Data: <`(&#232;&#244;B           > 60 28 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000242F4E9A160, 16 bytes long.
 Data: <8(&#232;&#244;B           > 38 28 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000242F4E99670, 16 bytes long.
 Data: < (&#232;&#244;B           > 10 28 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000242F4E99FD0, 16 bytes long.
 Data: <&#232;'&#232;&#244;B           > E8 27 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000242F4E9A250, 16 bytes long.
 Data: <&#192;'&#232;&#244;B           > C0 27 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242F4E9A110, 16 bytes long.
 Data: < '&#232;&#244;B           > 98 27 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000242F4E938B0, 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 0x00000242F4E99E40, 16 bytes long.
 Data: <p'&#232;&#244;B           > 70 27 E8 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000242F4E82770, 320 bytes long.
 Data: <@&#158;&#233;&#244;B   &#176;8&#233;&#244;B   > 40 9E E9 F4 42 02 00 00 B0 38 E9 F4 42 02 00 00 
{281} normal block at 0x00000242F4E9A0C0, 16 bytes long.
 Data: < &#167;&#233;&#244;B           > 80 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000242F4E999E0, 16 bytes long.
 Data: <X&#167;&#233;&#244;B           > 58 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000242F4E93730, 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 0x00000242F4E99F30, 16 bytes long.
 Data: <0&#167;&#233;&#244;B           > 30 A7 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000242F4E93DF0, 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 0x00000242F4E9A340, 16 bytes long.
 Data: <x&#166;&#233;&#244;B           > 78 A6 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000242F4E99710, 16 bytes long.
 Data: <P&#166;&#233;&#244;B           > 50 A6 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000242F4E99EE0, 16 bytes long.
 Data: <(&#166;&#233;&#244;B           > 28 A6 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000242F4E99B70, 16 bytes long.
 Data: < &#166;&#233;&#244;B           > 00 A6 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000242F4E99620, 16 bytes long.
 Data: <&#216;&#165;&#233;&#244;B           > D8 A5 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000242F4E9A020, 16 bytes long.
 Data: <&#176;&#165;&#233;&#244;B           > B0 A5 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000242F4E9A4D0, 16 bytes long.
 Data: <&#176;M&#233;&#244;B           > B0 4D E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242F4E94DB0, 40 bytes long.
 Data: <&#208;&#164;&#233;&#244;B   `&#209;&#190;&#246;B   > D0 A4 E9 F4 42 02 00 00 60 D1 BE F6 42 02 00 00 
{267} normal block at 0x00000242F4E99580, 16 bytes long.
 Data: < &#165;&#233;&#244;B           > 90 A5 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000242F4E9A390, 16 bytes long.
 Data: <h&#165;&#233;&#244;B           > 68 A5 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000242F4E93550, 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 0x00000242F4E995D0, 16 bytes long.
 Data: <@&#165;&#233;&#244;B           > 40 A5 E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000242F4E9A540, 992 bytes long.
 Data: <&#208;&#149;&#233;&#244;B   P5&#233;&#244;B   > D0 95 E9 F4 42 02 00 00 50 35 E9 F4 42 02 00 00 
{99} normal block at 0x00000242F4E93BB0, 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 0x00000242F4E919B0, 16 bytes long.
 Data: <pO&#233;&#244;B           > 70 4F E9 F4 42 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000242F4E94F70, 40 bytes long.
 Data: <&#176; &#233;&#244;B   &#176;;&#233;&#244;B   > B0 19 E9 F4 42 02 00 00 B0 3B E9 F4 42 02 00 00 
{76} normal block at 0x00000242F4E914B0, 16 bytes long.
 Data: < &#234;&#174;4&#246;           > 80 EA AE 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000242F4E91280, 16 bytes long.
 Data: <@&#233;&#174;4&#246;           > 40 E9 AE 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000242F4E91320, 16 bytes long.
 Data: <&#248;W&#171;4&#246;           > F8 57 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000242F4E92130, 16 bytes long.
 Data: <&#216;W&#171;4&#246;           > D8 57 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000242F4E915F0, 16 bytes long.
 Data: <P &#171;4&#246;           > 50 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000242F4E92090, 16 bytes long.
 Data: <0 &#171;4&#246;           > 30 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000242F4E91460, 16 bytes long.
 Data: <&#224; &#171;4&#246;           > E0 02 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000242F4E91690, 16 bytes long.
 Data: <  &#171;4&#246;           > 10 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000242F4E920E0, 16 bytes long.
 Data: <p &#171;4&#246;           > 70 04 AB 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000242F4E91230, 16 bytes long.
 Data: < &#192;&#169;4&#246;           > 18 C0 A9 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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