Task 38667218

Name test_494-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND5420_1
Workunit 31609821
Created 25 Oct 2026, 6:55:42 UTC
Sent 25 Oct 2026, 6:55:49 UTC
Report deadline 30 Oct 2026, 6:55:49 UTC
Received 25 Oct 2026, 8:32:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630608
Run time 32 min 51 sec
CPU time 30 min 54 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.97 MB
Peak swap size 13.15 GB
Peak disk usage 3.77 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:00:03 (10452): wrapper (7.9.26016): starting
02:00:03 (10452): 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
02:00:05 (10452): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:00:05 (10452): 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 'D:\BOINC\slots\35\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 'D:\BOINC\slots\35\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
02:31:38 (10452): C:/Windows/system32/cmd.exe exited; CPU time 1854.468750
02:31:38 (10452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 37333835 bytes.
Dumping objects ->
{3835291} normal block at 0x000001B6DCF47180, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835280} normal block at 0x000001B6DCF829E0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835269} normal block at 0x000001B6DCF82080, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835258} normal block at 0x000001B6DCF82E00, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835247} normal block at 0x000001B6DCF81C00, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x000001B6DCF46770, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835205} normal block at 0x000001B6DA48D840, 185 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) : {3835202} normal block at 0x000001B6DA497F90, 8 bytes long.
 Data: <  &#156;&#218;&#182;   > 00 00 9C DA B6 01 00 00 
{3834572} normal block at 0x000001B6DA4A2250, 185 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 0x000001B6DA4983A0, 8 bytes long.
 Data: <&#160;F&#244;&#220;&#182;   > A0 46 F4 DC B6 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B6DA4A2390, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B6DA48A180, 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 0x000001B6DA4A36F0, 16 bytes long.
 Data: <xGJ&#218;&#182;           > 78 47 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B6DA4A3D30, 16 bytes long.
 Data: <PGJ&#218;&#182;           > 50 47 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B6DA49F560, 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 0x000001B6DA4A4050, 16 bytes long.
 Data: <(GJ&#218;&#182;           > 28 47 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B6DA4A3AB0, 16 bytes long.
 Data: < GJ&#218;&#182;           > 00 47 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B6DA4A3970, 16 bytes long.
 Data: <&#216;FJ&#218;&#182;           > D8 46 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B6DA4A3420, 16 bytes long.
 Data: <&#176;FJ&#218;&#182;           > B0 46 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B6DA49DCC0, 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 0x000001B6DA4A4000, 16 bytes long.
 Data: < &#161;H&#218;&#182;           > 18 A1 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B6DA49EFC0, 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 0x000001B6DA4A36A0, 16 bytes long.
 Data: <&#240;&#160;H&#218;&#182;           > F0 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B6DA4A3600, 16 bytes long.
 Data: <&#200;&#160;H&#218;&#182;           > C8 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B6DA4A3A10, 16 bytes long.
 Data: <&#160;&#160;H&#218;&#182;           > A0 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B6DA4A3330, 16 bytes long.
 Data: <x&#160;H&#218;&#182;           > 78 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B6DA4A3510, 16 bytes long.
 Data: <P&#160;H&#218;&#182;           > 50 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B6DA4A3CE0, 16 bytes long.
 Data: <(&#160;H&#218;&#182;           > 28 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B6DA49F8C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001B6DA4A3C40, 16 bytes long.
 Data: < &#160;H&#218;&#182;           > 00 A0 48 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B6DA48A000, 320 bytes long.
 Data: <@<J&#218;&#182;   &#192;&#248;I&#218;&#182;   > 40 3C 4A DA B6 01 00 00 C0 F8 49 DA B6 01 00 00 
{268} normal block at 0x000001B6DA4A3920, 16 bytes long.
 Data: < FJ&#218;&#182;           > 90 46 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B6DA4A38D0, 16 bytes long.
 Data: <hFJ&#218;&#182;           > 68 46 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B6DA49EF00, 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 0x000001B6DA4A3BA0, 16 bytes long.
 Data: <@FJ&#218;&#182;           > 40 46 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B6DA49EEA0, 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 0x000001B6DA4A3B50, 16 bytes long.
 Data: < EJ&#218;&#182;           > 88 45 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B6DA4A3880, 16 bytes long.
 Data: <`EJ&#218;&#182;           > 60 45 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B6DA4A3EC0, 16 bytes long.
 Data: <8EJ&#218;&#182;           > 38 45 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B6DA4A3BF0, 16 bytes long.
 Data: < EJ&#218;&#182;           > 10 45 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B6DA4A3E70, 16 bytes long.
 Data: <&#232;DJ&#218;&#182;           > E8 44 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B6DA4A3C90, 16 bytes long.
 Data: <&#192;DJ&#218;&#182;           > C0 44 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B6DA4A40A0, 16 bytes long.
 Data: <`&#216;I&#218;&#182;           > 60 D8 49 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B6DA49D860, 40 bytes long.
 Data: <&#160;@J&#218;&#182;   pg&#244;&#220;&#182;   > A0 40 4A DA B6 01 00 00 70 67 F4 DC B6 01 00 00 
{254} normal block at 0x000001B6DA4A35B0, 16 bytes long.
 Data: <&#160;DJ&#218;&#182;           > A0 44 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001B6DA4A3E20, 16 bytes long.
 Data: <xDJ&#218;&#182;           > 78 44 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B6DA49FAA0, 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 0x000001B6DA4A3DD0, 16 bytes long.
 Data: <PDJ&#218;&#182;           > 50 44 4A DA B6 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001B6DA4A4450, 992 bytes long.
 Data: <&#208;=J&#218;&#182;   &#160;&#250;I&#218;&#182;   > D0 3D 4A DA B6 01 00 00 A0 FA 49 DA B6 01 00 00 
{86} normal block at 0x000001B6DA49EF60, 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 0x000001B6DA4978B0, 16 bytes long.
 Data: <&#240;&#215;I&#218;&#182;           > F0 D7 49 DA B6 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001B6DA49D7F0, 40 bytes long.
 Data: <&#176;xI&#218;&#182;   `&#239;I&#218;&#182;   > B0 78 49 DA B6 01 00 00 60 EF 49 DA B6 01 00 00 
{63} normal block at 0x000001B6DA498350, 16 bytes long.
 Data: < &#234;\1&#246;           > 80 EA 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B6DA498030, 16 bytes long.
 Data: <@&#233;\1&#246;           > 40 E9 5C 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B6DA498710, 16 bytes long.
 Data: <&#248;WY1&#246;           > F8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B6DA497EF0, 16 bytes long.
 Data: <&#216;WY1&#246;           > D8 57 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B6DA497C20, 16 bytes long.
 Data: <P Y1&#246;           > 50 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B6DA498080, 16 bytes long.
 Data: <0 Y1&#246;           > 30 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B6DA498760, 16 bytes long.
 Data: <&#224; Y1&#246;           > E0 02 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B6DA497B80, 16 bytes long.
 Data: <  Y1&#246;           > 10 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B6DA497A90, 16 bytes long.
 Data: <p Y1&#246;           > 70 04 59 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B6DA497EA0, 16 bytes long.
 Data: < &#192;W1&#246;           > 18 C0 57 31 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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