Task 38684935

Name test_356-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND7656_0
Workunit 31626433
Created 27 Oct 2026, 18:38:07 UTC
Sent 27 Oct 2026, 18:38:11 UTC
Report deadline 1 Nov 2026, 18:38:11 UTC
Received 27 Oct 2026, 19:51:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 28 min 34 sec
CPU time 24 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.98 MB
Peak swap size 5.37 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:22:32 (18328): wrapper (7.9.26016): starting
20:22:32 (18328): 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
20:22:33 (18328): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:22:33 (18328): 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\8\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\8\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: Exiting with failure status due to previous errors
20:50:01 (18328): C:/Windows/system32/cmd.exe exited; CPU time 1489.828125
20:50:01 (18328): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23058789 bytes.
Dumping objects ->
{3835282} normal block at 0x000001A3764FC9E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001A3764FCE40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001A3748A4A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001A3748A4840, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001A3748A47D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001A3765471F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001A37655EDF0, 102 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) : {3835193} normal block at 0x000001A37489D750, 8 bytes long.
 Data: <  &#205;t&#163;   > 00 00 CD 74 A3 01 00 00 
{3834569} normal block at 0x000001A37655F000, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001A37489D890, 8 bytes long.
 Data: <@OZv&#163;   > 40 4F 5A 76 A3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A3748A18C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A37488E550, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001A3748A58A0, 16 bytes long.
 Data: <(g&#138;t&#163;           > 28 67 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A3748A56C0, 16 bytes long.
 Data: < g&#138;t&#163;           > 00 67 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A37489ECF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001A3748A5530, 16 bytes long.
 Data: <&#216;f&#138;t&#163;           > D8 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A3748A5C10, 16 bytes long.
 Data: <&#176;f&#138;t&#163;           > B0 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A3748A5F80, 16 bytes long.
 Data: < f&#138;t&#163;           > 88 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A3748A5E40, 16 bytes long.
 Data: <`f&#138;t&#163;           > 60 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A3748A4BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001A3748A5850, 16 bytes long.
 Data: <&#216;&#141;&#137;t&#163;           > D8 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A37489EED0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001A3748A5BC0, 16 bytes long.
 Data: <&#176;&#141;&#137;t&#163;           > B0 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A3748A5F30, 16 bytes long.
 Data: < &#141;&#137;t&#163;           > 88 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A3748A5A30, 16 bytes long.
 Data: <`&#141;&#137;t&#163;           > 60 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A3748A5620, 16 bytes long.
 Data: <8&#141;&#137;t&#163;           > 38 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A3748A5670, 16 bytes long.
 Data: < &#141;&#137;t&#163;           > 10 8D 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A3748A5EE0, 16 bytes long.
 Data: <&#232;&#140;&#137;t&#163;           > E8 8C 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A37489F6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001A3748A55D0, 16 bytes long.
 Data: <&#192;&#140;&#137;t&#163;           > C0 8C 89 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A374898CC0, 320 bytes long.
 Data: <&#208;U&#138;t&#163;   &#176;&#246;&#137;t&#163;   > D0 55 8A 74 A3 01 00 00 B0 F6 89 74 A3 01 00 00 
{276} normal block at 0x000001A3748A54E0, 16 bytes long.
 Data: <@f&#138;t&#163;           > 40 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A3748A5710, 16 bytes long.
 Data: < f&#138;t&#163;           > 18 66 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A37489EAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001A3748A5490, 16 bytes long.
 Data: <&#240;e&#138;t&#163;           > F0 65 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A37489F650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001A3748A6390, 16 bytes long.
 Data: <8e&#138;t&#163;           > 38 65 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A3748A59E0, 16 bytes long.
 Data: < e&#138;t&#163;           > 10 65 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A3748A62F0, 16 bytes long.
 Data: <&#232;d&#138;t&#163;           > E8 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A3748A5760, 16 bytes long.
 Data: <&#192;d&#138;t&#163;           > C0 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A3748A5580, 16 bytes long.
 Data: < d&#138;t&#163;           > 98 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A3748A6160, 16 bytes long.
 Data: <pd&#138;t&#163;           > 70 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A3748A6340, 16 bytes long.
 Data: <PK&#138;t&#163;           > 50 4B 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A3748A4B50, 40 bytes long.
 Data: <@c&#138;t&#163;   &#240;qTv&#163;   > 40 63 8A 74 A3 01 00 00 F0 71 54 76 A3 01 00 00 
{262} normal block at 0x000001A3748A5440, 16 bytes long.
 Data: <Pd&#138;t&#163;           > 50 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A3748A62A0, 16 bytes long.
 Data: <(d&#138;t&#163;           > 28 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A37489F590, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001A3748A5990, 16 bytes long.
 Data: < d&#138;t&#163;           > 00 64 8A 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A3748A6400, 992 bytes long.
 Data: < Y&#138;t&#163;    &#245;&#137;t&#163;   > 90 59 8A 74 A3 01 00 00 90 F5 89 74 A3 01 00 00 
{94} normal block at 0x000001A37489F0B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001A37489DE30, 16 bytes long.
 Data: < &#244; t&#163;           > 80 F4 88 74 A3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A37488F480, 40 bytes long.
 Data: <0&#222;&#137;t&#163;   &#176;&#240;&#137;t&#163;   > 30 DE 89 74 A3 01 00 00 B0 F0 89 74 A3 01 00 00 
{71} normal block at 0x000001A37489CF80, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A37489DDE0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A37489D2A0, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A37489D340, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A37489DCA0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A37489DD90, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A37489D700, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A37489D6B0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A37489D070, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A37489DC00, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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