Task 38677148

Name test_311-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8266_0
Workunit 31619031
Created 26 Oct 2026, 13:26:26 UTC
Sent 26 Oct 2026, 13:26:32 UTC
Report deadline 31 Oct 2026, 13:26:32 UTC
Received 26 Oct 2026, 14:10:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 22 min 5 sec
CPU time 19 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.17 MB
Peak swap size 13.05 GB
Peak disk usage 3.75 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:49:49 (24912): wrapper (7.9.26016): starting
08:49:49 (24912): 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
08:49:52 (24912): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:49:52 (24912): 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\29\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\29\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
09:10:32 (24912): C:/Windows/system32/cmd.exe exited; CPU time 1169.593750
09:10:32 (24912): 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: 36646917 bytes.
Dumping objects ->
{3835311} normal block at 0x0000017730B3B0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x0000017730B3A780, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x0000017730B3B040, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x0000017730B3ADA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000017730B3AD30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x0000017730ADD480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000017730B3F4E0, 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) : {3835222} normal block at 0x000001772EE7EC10, 8 bytes long.
 Data: <  &/w   > 00 00 26 2F 77 01 00 00 
{3834575} normal block at 0x0000017730B3EA90, 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 0x000001772EE7EB70, 8 bytes long.
 Data: <P&#235;&#245;.w   > 50 EB F5 2E 77 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001772EE76C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001772EE774C0, 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 0x000001772EE86030, 16 bytes long.
 Data: <&#216;Z&#232;.w           > D8 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001772EE86210, 16 bytes long.
 Data: <&#176;Z&#232;.w           > B0 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001772EE80520, 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 0x000001772EE86170, 16 bytes long.
 Data: < Z&#232;.w           > 88 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001772EE86990, 16 bytes long.
 Data: <`Z&#232;.w           > 60 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001772EE86350, 16 bytes long.
 Data: <8Z&#232;.w           > 38 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001772EE86800, 16 bytes long.
 Data: < Z&#232;.w           > 10 5A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001772EE83C20, 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 0x000001772EE861C0, 16 bytes long.
 Data: < &#252;&#230;.w           > 18 FC E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001772EE806A0, 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 0x000001772EE86B70, 16 bytes long.
 Data: <&#240;&#251;&#230;.w           > F0 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001772EE862B0, 16 bytes long.
 Data: <&#200;&#251;&#230;.w           > C8 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001772EE867B0, 16 bytes long.
 Data: <&#160;&#251;&#230;.w           > A0 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001772EE863F0, 16 bytes long.
 Data: <x&#251;&#230;.w           > 78 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001772EE85E50, 16 bytes long.
 Data: <P&#251;&#230;.w           > 50 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001772EE86580, 16 bytes long.
 Data: <(&#251;&#230;.w           > 28 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001772EE7FF80, 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 0x000001772EE85DB0, 16 bytes long.
 Data: < &#251;&#230;.w           > 00 FB E6 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001772EE6FB00, 320 bytes long.
 Data: <&#176;]&#232;.w    &#255;&#231;.w   > B0 5D E8 2E 77 01 00 00 80 FF E7 2E 77 01 00 00 
{276} normal block at 0x000001772EE86440, 16 bytes long.
 Data: <&#240;Y&#232;.w           > F0 59 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001772EE866C0, 16 bytes long.
 Data: <&#200;Y&#232;.w           > C8 59 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001772EE80940, 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 0x000001772EE85E00, 16 bytes long.
 Data: <&#160;Y&#232;.w           > A0 59 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001772EE7FEC0, 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 0x000001772EE86670, 16 bytes long.
 Data: <&#232;X&#232;.w           > E8 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001772EE865D0, 16 bytes long.
 Data: <&#192;X&#232;.w           > C0 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001772EE86AD0, 16 bytes long.
 Data: < X&#232;.w           > 98 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001772EE86710, 16 bytes long.
 Data: <pX&#232;.w           > 70 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001772EE86760, 16 bytes long.
 Data: <HX&#232;.w           > 48 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001772EE7F2F0, 16 bytes long.
 Data: < X&#232;.w           > 20 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001772EE7EEE0, 16 bytes long.
 Data: <&#208;:&#232;.w           > D0 3A E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001772EE83AD0, 40 bytes long.
 Data: <&#224;&#238;&#231;.w    &#212;&#173;0w   > E0 EE E7 2E 77 01 00 00 80 D4 AD 30 77 01 00 00 
{262} normal block at 0x000001772EE7ED00, 16 bytes long.
 Data: < X&#232;.w           > 00 58 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001772EE7ECB0, 16 bytes long.
 Data: <&#216;W&#232;.w           > D8 57 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001772EE7FE00, 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 0x000001772EE7F160, 16 bytes long.
 Data: <&#176;W&#232;.w           > B0 57 E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001772EE857B0, 992 bytes long.
 Data: <`&#241;&#231;.w    &#254;&#231;.w   > 60 F1 E7 2E 77 01 00 00 00 FE E7 2E 77 01 00 00 
{94} normal block at 0x000001772EE80700, 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 0x000001772EE7F430, 16 bytes long.
 Data: <&#176;;&#232;.w           > B0 3B E8 2E 77 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001772EE83BB0, 40 bytes long.
 Data: <0&#244;&#231;.w     &#232;.w   > 30 F4 E7 2E 77 01 00 00 00 07 E8 2E 77 01 00 00 
{71} normal block at 0x000001772EE7F0C0, 16 bytes long.
 Data: < &#234;/T&#246;           > 80 EA 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001772EE7F2A0, 16 bytes long.
 Data: <@&#233;/T&#246;           > 40 E9 2F 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001772EE7F200, 16 bytes long.
 Data: <&#248;W,T&#246;           > F8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001772EE7E620, 16 bytes long.
 Data: <&#216;W,T&#246;           > D8 57 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001772EE7E850, 16 bytes long.
 Data: <P ,T&#246;           > 50 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001772EE7F110, 16 bytes long.
 Data: <0 ,T&#246;           > 30 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001772EE7E580, 16 bytes long.
 Data: <&#224; ,T&#246;           > E0 02 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001772EE7EB20, 16 bytes long.
 Data: <  ,T&#246;           > 10 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001772EE7F340, 16 bytes long.
 Data: <p ,T&#246;           > 70 04 2C 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001772EE7E8A0, 16 bytes long.
 Data: < &#192;*T&#246;           > 18 C0 2A 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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