Task 38688257

Name test_669-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6278_0
Workunit 31629617
Created 28 Oct 2026, 12:42:29 UTC
Sent 28 Oct 2026, 12:42:30 UTC
Report deadline 2 Nov 2026, 12:42:30 UTC
Received 28 Oct 2026, 15:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644191
Run time 39 min 4 sec
CPU time 35 min 7 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 688.56 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>
15:38:30 (18768): wrapper (7.9.26016): starting
15:38:30 (18768): 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
15:38:31 (18768): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:38:31 (18768): 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
16:16:26 (18768): C:/Windows/system32/cmd.exe exited; CPU time 2107.375000
16:16:26 (18768): 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: 33659083 bytes.
Dumping objects ->
{3835286} normal block at 0x0000018A78126820, 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 0x0000018A781267B0, 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 0x0000018A78126740, 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 0x0000018A781266D0, 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 0x0000018A78126660, 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 0x0000018A79E2C6F0, 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 0x0000018A79DB1480, 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 0x0000018A78120410, 8 bytes long.
 Data: <  Wx&#138;   > 00 00 57 78 8A 01 00 00 
{3834575} normal block at 0x0000018A79DB1350, 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 0x0000018A78120A00, 8 bytes long.
 Data: <@ &#219;y&#138;   > 40 0D DB 79 8A 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000018A7811E610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018A781170A0, 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 0x0000018A781275B0, 16 bytes long.
 Data: < | x&#138;           > 18 7C 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018A781274C0, 16 bytes long.
 Data: <&#240;{ x&#138;           > F0 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018A78121040, 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 0x0000018A78126C50, 16 bytes long.
 Data: <&#200;{ x&#138;           > C8 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018A78127010, 16 bytes long.
 Data: <&#160;{ x&#138;           > A0 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018A78126ED0, 16 bytes long.
 Data: <x{ x&#138;           > 78 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018A78127740, 16 bytes long.
 Data: <P{ x&#138;           > 50 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018A78126190, 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 0x0000018A78126930, 16 bytes long.
 Data: <(&#246; x&#138;           > 28 F6 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018A78121C40, 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 0x0000018A78126B60, 16 bytes long.
 Data: < &#246; x&#138;           > 00 F6 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018A78127510, 16 bytes long.
 Data: <&#216;&#245; x&#138;           > D8 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018A78127560, 16 bytes long.
 Data: <&#176;&#245; x&#138;           > B0 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018A781276A0, 16 bytes long.
 Data: < &#245; x&#138;           > 88 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018A78126A70, 16 bytes long.
 Data: <`&#245; x&#138;           > 60 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018A78127420, 16 bytes long.
 Data: <8&#245; x&#138;           > 38 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018A78121B80, 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 0x0000018A781276F0, 16 bytes long.
 Data: < &#245; x&#138;           > 10 F5 10 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018A7810F510, 320 bytes long.
 Data: <&#240;v x&#138;      x&#138;   > F0 76 12 78 8A 01 00 00 80 1B 12 78 8A 01 00 00 
{269} normal block at 0x0000018A781270B0, 16 bytes long.
 Data: <0{ x&#138;           > 30 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018A78126FC0, 16 bytes long.
 Data: < { x&#138;           > 08 7B 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018A78120FE0, 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 0x0000018A78127100, 16 bytes long.
 Data: <&#224;z x&#138;           > E0 7A 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018A781216A0, 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 0x0000018A78127380, 16 bytes long.
 Data: <(z x&#138;           > 28 7A 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018A78127470, 16 bytes long.
 Data: < z x&#138;           > 00 7A 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018A78126B10, 16 bytes long.
 Data: <&#216;y x&#138;           > D8 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018A78126C00, 16 bytes long.
 Data: <&#176;y x&#138;           > B0 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018A78126AC0, 16 bytes long.
 Data: < y x&#138;           > 88 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018A78126E80, 16 bytes long.
 Data: <`y x&#138;           > 60 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018A78126F70, 16 bytes long.
 Data: <&#192;c x&#138;           > C0 63 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018A781263C0, 40 bytes long.
 Data: <po x&#138;   &#240;&#198;&#226;y&#138;   > 70 6F 12 78 8A 01 00 00 F0 C6 E2 79 8A 01 00 00 
{255} normal block at 0x0000018A78126BB0, 16 bytes long.
 Data: <@y x&#138;           > 40 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018A781273D0, 16 bytes long.
 Data: < y x&#138;           > 18 79 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018A781213A0, 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 0x0000018A78126E30, 16 bytes long.
 Data: <&#240;x x&#138;           > F0 78 12 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018A781278F0, 992 bytes long.
 Data: <0n x&#138;   &#160;  x&#138;   > 30 6E 12 78 8A 01 00 00 A0 13 12 78 8A 01 00 00 
{87} normal block at 0x0000018A78121A00, 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 0x0000018A78120870, 16 bytes long.
 Data: <`&#174; x&#138;           > 60 AE 11 78 8A 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000018A7811AE60, 40 bytes long.
 Data: <p  x&#138;      x&#138;   > 70 08 12 78 8A 01 00 00 00 1A 12 78 8A 01 00 00 
{64} normal block at 0x0000018A7811FFB0, 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 0x0000018A78120C80, 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 0x0000018A7811FF60, 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 0x0000018A781205F0, 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 0x0000018A7811FD30, 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 0x0000018A781203C0, 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 0x0000018A781207D0, 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 0x0000018A781206E0, 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 0x0000018A78120140, 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 0x0000018A78120780, 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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