Task 38664807

Name test_884-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0240_0
Workunit 31607932
Created 25 Oct 2026, 0:12:17 UTC
Sent 25 Oct 2026, 0:13:08 UTC
Report deadline 30 Oct 2026, 0:13:08 UTC
Received 25 Oct 2026, 1:21:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628942
Run time 1 hours 5 min 33 sec
CPU time 51 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,879.75 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.55 MB
Peak swap size 2.18 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:15:47 (9668): wrapper (7.9.26016): starting
21:15:47 (9668): 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
21:16:05 (9668): Library/usr/bin/tar.exe exited; CPU time 0.046875
21:16:05 (9668): 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\2\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\2\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
22:20:43 (9668): C:/Windows/system32/cmd.exe exited; CPU time 3089.250000
22:20:43 (9668): 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: 46575619 bytes.
Dumping objects ->
{3835273} normal block at 0x00000173EEEDDF70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000173EEEDDAA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835251} normal block at 0x00000173EEEDE130, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835240} normal block at 0x00000173EEEDD5D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000173ED4614E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835198} normal block at 0x00000173EEF263D0, 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) : {3835185} normal block at 0x00000173ED45BA10, 8 bytes long.
 Data: <  B&#237;s   > 00 00 42 ED 73 01 00 00 
{3833957} normal block at 0x00000173ED45BB00, 8 bytes long.
 Data: < &#168;H&#237;s   > 00 A8 48 ED 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000173ED44FAC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000173ED450930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000173ED463B20, 16 bytes long.
 Data: <&#216;EF&#237;s           > D8 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000173ED463E40, 16 bytes long.
 Data: <&#176;EF&#237;s           > B0 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000173ED45FCB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000173ED463530, 16 bytes long.
 Data: < EF&#237;s           > 88 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000173ED463C60, 16 bytes long.
 Data: <`EF&#237;s           > 60 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000173ED463940, 16 bytes long.
 Data: <8EF&#237;s           > 38 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000173ED463620, 16 bytes long.
 Data: < EF&#237;s           > 10 45 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000173ED461630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000173ED4633A0, 16 bytes long.
 Data: <(&#232;D&#237;s           > 28 E8 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000173ED45FBF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000173ED463760, 16 bytes long.
 Data: < &#232;D&#237;s           > 00 E8 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000173ED4636C0, 16 bytes long.
 Data: <&#216;&#231;D&#237;s           > D8 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000173ED4634E0, 16 bytes long.
 Data: <&#176;&#231;D&#237;s           > B0 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000173ED463260, 16 bytes long.
 Data: < &#231;D&#237;s           > 88 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000173ED4638A0, 16 bytes long.
 Data: <`&#231;D&#237;s           > 60 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000173ED463DF0, 16 bytes long.
 Data: <8&#231;D&#237;s           > 38 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000173ED45F4D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000173ED4637B0, 16 bytes long.
 Data: < &#231;D&#237;s           > 10 E7 44 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000173ED44E710, 320 bytes long.
 Data: <&#176;7F&#237;s   &#208;&#244;E&#237;s   > B0 37 46 ED 73 01 00 00 D0 F4 45 ED 73 01 00 00 
{274} normal block at 0x00000173ED463210, 16 bytes long.
 Data: <&#240;DF&#237;s           > F0 44 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000173ED463AD0, 16 bytes long.
 Data: <&#200;DF&#237;s           > C8 44 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000173ED45F050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000173ED463C10, 16 bytes long.
 Data: <&#160;DF&#237;s           > A0 44 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000173ED45F830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000173ED463BC0, 16 bytes long.
 Data: <&#232;CF&#237;s           > E8 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000173ED463850, 16 bytes long.
 Data: <&#192;CF&#237;s           > C0 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000173ED4635D0, 16 bytes long.
 Data: < CF&#237;s           > 98 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000173ED4631C0, 16 bytes long.
 Data: <pCF&#237;s           > 70 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000173ED463350, 16 bytes long.
 Data: <HCF&#237;s           > 48 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000173ED463A80, 16 bytes long.
 Data: < CF&#237;s           > 20 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000173ED463080, 16 bytes long.
 Data: <&#240; F&#237;s           > F0 17 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000173ED4617F0, 40 bytes long.
 Data: < 0F&#237;s   &#208;c&#242;&#238;s   > 80 30 46 ED 73 01 00 00 D0 63 F2 EE 73 01 00 00 
{260} normal block at 0x00000173ED463490, 16 bytes long.
 Data: < CF&#237;s           > 00 43 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000173ED463120, 16 bytes long.
 Data: <&#216;BF&#237;s           > D8 42 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000173ED45FA70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000173ED463DA0, 16 bytes long.
 Data: <&#176;BF&#237;s           > B0 42 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000173ED4642B0, 992 bytes long.
 Data: <&#160;=F&#237;s   p&#250;E&#237;s   > A0 3D 46 ED 73 01 00 00 70 FA 45 ED 73 01 00 00 
{92} normal block at 0x00000173ED45F470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000173ED45B420, 16 bytes long.
 Data: <  F&#237;s           > 20 1A 46 ED 73 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000173ED461A20, 40 bytes long.
 Data: < &#180;E&#237;s   p&#244;E&#237;s   > 20 B4 45 ED 73 01 00 00 70 F4 45 ED 73 01 00 00 
{69} normal block at 0x00000173ED45AD90, 16 bytes long.
 Data: < &#234;&#179;&#249;&#246;           > 80 EA B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000173ED45B970, 16 bytes long.
 Data: <@&#233;&#179;&#249;&#246;           > 40 E9 B3 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000173ED45BA60, 16 bytes long.
 Data: <&#248;W&#176;&#249;&#246;           > F8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000173ED45B2E0, 16 bytes long.
 Data: <&#216;W&#176;&#249;&#246;           > D8 57 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000173ED45B560, 16 bytes long.
 Data: <P &#176;&#249;&#246;           > 50 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000173ED45B920, 16 bytes long.
 Data: <0 &#176;&#249;&#246;           > 30 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000173ED45B8D0, 16 bytes long.
 Data: <&#224; &#176;&#249;&#246;           > E0 02 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000173ED45B6F0, 16 bytes long.
 Data: <  &#176;&#249;&#246;           > 10 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000173ED45B290, 16 bytes long.
 Data: <p &#176;&#249;&#246;           > 70 04 B0 F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000173ED45B010, 16 bytes long.
 Data: < &#192;&#174;&#249;&#246;           > 18 C0 AE F9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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