Task 38688247

Name test_941-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6837_0
Workunit 31629607
Created 28 Oct 2026, 12:40:34 UTC
Sent 28 Oct 2026, 12:40:35 UTC
Report deadline 2 Nov 2026, 12:40:35 UTC
Received 28 Oct 2026, 14:37:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644191
Run time 38 min 59 sec
CPU time 35 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,717.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 662.95 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:59:20 (19780): wrapper (7.9.26016): starting
14:59:20 (19780): 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
14:59:21 (19780): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:59:21 (19780): 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\3\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\3\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
15:37:16 (19780): C:/Windows/system32/cmd.exe exited; CPU time 2108.234375
15:37:16 (19780): 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: 33605003 bytes.
Dumping objects ->
{3835286} normal block at 0x0000019B2AB85280, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000019B2AB85210, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000019B2AB84FE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x0000019B2AB84F00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000019B2AB850C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x0000019B2C73B690, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000019B2AB6DC30, 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) : {3835197} normal block at 0x0000019B2AB7D990, 8 bytes long.
 Data: <  S,&#155;   > 00 00 53 2C 9B 01 00 00 
{3834575} normal block at 0x0000019B2AB6DD60, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000019B2AB7E3E0, 8 bytes long.
 Data: <&#160;Ky,&#155;   > A0 4B 79 2C 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000019B2AB81EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019B2AB75A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000019B2AB860A0, 16 bytes long.
 Data: <&#168;l&#184;*&#155;           > A8 6C B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019B2AB85E20, 16 bytes long.
 Data: < l&#184;*&#155;           > 80 6C B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019B2AB7FCE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000019B2AB86050, 16 bytes long.
 Data: <Xl&#184;*&#155;           > 58 6C B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019B2AB85DD0, 16 bytes long.
 Data: <0l&#184;*&#155;           > 30 6C B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019B2AB865F0, 16 bytes long.
 Data: < l&#184;*&#155;           > 08 6C B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019B2AB866E0, 16 bytes long.
 Data: <&#224;k&#184;*&#155;           > E0 6B B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019B2AB84F70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000019B2AB85CE0, 16 bytes long.
 Data: <&#232;&#241;&#182;*&#155;           > E8 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019B2AB7F6E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000019B2AB860F0, 16 bytes long.
 Data: <&#192;&#241;&#182;*&#155;           > C0 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019B2AB86730, 16 bytes long.
 Data: < &#241;&#182;*&#155;           > 98 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019B2AB86230, 16 bytes long.
 Data: <p&#241;&#182;*&#155;           > 70 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019B2AB86140, 16 bytes long.
 Data: <H&#241;&#182;*&#155;           > 48 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019B2AB865A0, 16 bytes long.
 Data: < &#241;&#182;*&#155;           > 20 F1 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019B2AB85D30, 16 bytes long.
 Data: <&#248;&#240;&#182;*&#155;           > F8 F0 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019B2AB7F5C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000019B2AB86000, 16 bytes long.
 Data: <&#208;&#240;&#182;*&#155;           > D0 F0 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019B2AB6F0D0, 320 bytes long.
 Data: < `&#184;*&#155;   &#192;&#245;&#183;*&#155;   > 00 60 B8 2A 9B 01 00 00 C0 F5 B7 2A 9B 01 00 00 
{269} normal block at 0x0000019B2AB85A10, 16 bytes long.
 Data: <&#192;k&#184;*&#155;           > C0 6B B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019B2AB85EC0, 16 bytes long.
 Data: < k&#184;*&#155;           > 98 6B B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019B2AB7FB00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000019B2AB85B00, 16 bytes long.
 Data: <pk&#184;*&#155;           > 70 6B B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019B2AB80040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000019B2AB86550, 16 bytes long.
 Data: <&#184;j&#184;*&#155;           > B8 6A B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019B2AB85A60, 16 bytes long.
 Data: < j&#184;*&#155;           > 90 6A B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019B2AB86640, 16 bytes long.
 Data: <hj&#184;*&#155;           > 68 6A B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019B2AB867D0, 16 bytes long.
 Data: <@j&#184;*&#155;           > 40 6A B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019B2AB85BA0, 16 bytes long.
 Data: < j&#184;*&#155;           > 18 6A B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019B2AB86500, 16 bytes long.
 Data: <&#240;i&#184;*&#155;           > F0 69 B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019B2AB861E0, 16 bytes long.
 Data: <0Q&#184;*&#155;           > 30 51 B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019B2AB85130, 40 bytes long.
 Data: <&#224;a&#184;*&#155;    &#182;s,&#155;   > E0 61 B8 2A 9B 01 00 00 90 B6 73 2C 9B 01 00 00 
{255} normal block at 0x0000019B2AB85C90, 16 bytes long.
 Data: <&#208;i&#184;*&#155;           > D0 69 B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019B2AB85F10, 16 bytes long.
 Data: <&#168;i&#184;*&#155;           > A8 69 B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019B2AB7FA40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000019B2AB86190, 16 bytes long.
 Data: < i&#184;*&#155;           > 80 69 B8 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000019B2AB86980, 992 bytes long.
 Data: < a&#184;*&#155;   @&#250;&#183;*&#155;   > 90 61 B8 2A 9B 01 00 00 40 FA B7 2A 9B 01 00 00 
{87} normal block at 0x0000019B2AB7FEC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000019B2AB7E200, 16 bytes long.
 Data: < &#215;&#182;*&#155;           > 00 D7 B6 2A 9B 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000019B2AB6D700, 40 bytes long.
 Data: < &#226;&#183;*&#155;   &#192;&#254;&#183;*&#155;   > 00 E2 B7 2A 9B 01 00 00 C0 FE B7 2A 9B 01 00 00 
{64} normal block at 0x0000019B2AB7D670, 16 bytes long.
 Data: < &#234;&#202;&#215;&#246;           > 80 EA CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019B2AB7D8F0, 16 bytes long.
 Data: <@&#233;&#202;&#215;&#246;           > 40 E9 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019B2AB7DF80, 16 bytes long.
 Data: <&#248;W&#199;&#215;&#246;           > F8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019B2AB7D620, 16 bytes long.
 Data: <&#216;W&#199;&#215;&#246;           > D8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019B2AB7DA30, 16 bytes long.
 Data: <P &#199;&#215;&#246;           > 50 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019B2AB7D5D0, 16 bytes long.
 Data: <0 &#199;&#215;&#246;           > 30 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019B2AB7E1B0, 16 bytes long.
 Data: <&#224; &#199;&#215;&#246;           > E0 02 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019B2AB7E110, 16 bytes long.
 Data: <  &#199;&#215;&#246;           > 10 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019B2AB7D8A0, 16 bytes long.
 Data: <p &#199;&#215;&#246;           > 70 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000019B2AB7D850, 16 bytes long.
 Data: < &#192;&#197;&#215;&#246;           > 18 C0 C5 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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