Task 38668741

Name test_292-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3097_0
Workunit 31611190
Created 25 Oct 2026, 12:38:24 UTC
Sent 25 Oct 2026, 12:38:39 UTC
Report deadline 30 Oct 2026, 12:38:39 UTC
Received 25 Oct 2026, 13:01:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648025
Run time 17 min 54 sec
CPU time 16 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 46,380.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.24 MB
Peak swap size 10.01 GB
Peak disk usage 3.65 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:43:08 (29092): wrapper (7.9.26016): starting
08:43:08 (29092): 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
08:43:09 (29092): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:43:09 (29092): 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\0\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\0\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
09:00:18 (29092): C:/Windows/system32/cmd.exe exited; CPU time 1009.593750
09:00:18 (29092): 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: 20443373 bytes.
Dumping objects ->
{3835270} normal block at 0x000001BA0259D0B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001BA007A47E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x000001BA007A4620, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x000001BA007A44D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000001BA007A4770, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x000001BA025E8AB0, 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) : {3835182} normal block at 0x000001BA0079ECA0, 8 bytes long.
 Data: <  &#220; &#186;   > 00 00 DC 00 BA 01 00 00 
{3833955} normal block at 0x000001BA0079E980, 8 bytes long.
 Data: <P&#217;x &#186;   > 50 D9 78 00 BA 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BA007A0B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BA00795C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001BA007A59D0, 16 bytes long.
 Data: <xaz &#186;           > 78 61 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BA007A5AC0, 16 bytes long.
 Data: <Paz &#186;           > 50 61 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BA0079FE40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001BA007A5700, 16 bytes long.
 Data: <(az &#186;           > 28 61 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BA007A5A20, 16 bytes long.
 Data: < az &#186;           > 00 61 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BA007A56B0, 16 bytes long.
 Data: <&#216;`z &#186;           > D8 60 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BA007A5C00, 16 bytes long.
 Data: <&#176;`z &#186;           > B0 60 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BA007A4850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001BA007A5BB0, 16 bytes long.
 Data: <&#168;&#244;x &#186;           > A8 F4 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BA0079F5A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001BA007A5750, 16 bytes long.
 Data: < &#244;x &#186;           > 80 F4 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BA007A52F0, 16 bytes long.
 Data: <X&#244;x &#186;           > 58 F4 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BA007A5660, 16 bytes long.
 Data: <0&#244;x &#186;           > 30 F4 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BA007A5980, 16 bytes long.
 Data: < &#244;x &#186;           > 08 F4 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BA007A4FD0, 16 bytes long.
 Data: <&#224;&#243;x &#186;           > E0 F3 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BA007A58E0, 16 bytes long.
 Data: <&#184;&#243;x &#186;           > B8 F3 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BA0079F240, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001BA007A5070, 16 bytes long.
 Data: < &#243;x &#186;           > 90 F3 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BA0078F390, 320 bytes long.
 Data: <pPz &#186;   @&#242;y &#186;   > 70 50 7A 00 BA 01 00 00 40 F2 79 00 BA 01 00 00 
{273} normal block at 0x000001BA007A5930, 16 bytes long.
 Data: < `z &#186;           > 90 60 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BA007A52A0, 16 bytes long.
 Data: <h`z &#186;           > 68 60 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BA0079F540, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001BA007A4F80, 16 bytes long.
 Data: <@`z &#186;           > 40 60 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BA0079F4E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001BA007A5250, 16 bytes long.
 Data: < _z &#186;           > 88 5F 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BA007A5B60, 16 bytes long.
 Data: <`_z &#186;           > 60 5F 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BA007A5D40, 16 bytes long.
 Data: <8_z &#186;           > 38 5F 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BA007A54D0, 16 bytes long.
 Data: < _z &#186;           > 10 5F 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BA007A5CF0, 16 bytes long.
 Data: <&#232;^z &#186;           > E8 5E 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BA007A5890, 16 bytes long.
 Data: <&#192;^z &#186;           > C0 5E 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BA007A50C0, 16 bytes long.
 Data: <&#192;Hz &#186;           > C0 48 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BA007A48C0, 40 bytes long.
 Data: <&#192;Pz &#186;   &#176;&#138;^ &#186;   > C0 50 7A 00 BA 01 00 00 B0 8A 5E 02 BA 01 00 00 
{259} normal block at 0x000001BA007A5C50, 16 bytes long.
 Data: <&#160;^z &#186;           > A0 5E 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BA007A51B0, 16 bytes long.
 Data: <x^z &#186;           > 78 5E 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BA0079FF60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001BA007A4EE0, 16 bytes long.
 Data: <P^z &#186;           > 50 5E 7A 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BA007A5E50, 992 bytes long.
 Data: <&#224;Nz &#186;   `&#255;y &#186;   > E0 4E 7A 00 BA 01 00 00 60 FF 79 00 BA 01 00 00 
{91} normal block at 0x000001BA0079F480, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001BA0079ECF0, 16 bytes long.
 Data: < &#240;x &#186;           > 90 F0 78 00 BA 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001BA0078F090, 40 bytes long.
 Data: <&#240;&#236;y &#186;    &#244;y &#186;   > F0 EC 79 00 BA 01 00 00 80 F4 79 00 BA 01 00 00 
{68} normal block at 0x000001BA0079E1B0, 16 bytes long.
 Data: < &#234;+d&#246;           > 80 EA 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BA0079ED90, 16 bytes long.
 Data: <@&#233;+d&#246;           > 40 E9 2B 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BA0079E110, 16 bytes long.
 Data: <&#248;W(d&#246;           > F8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BA0079E6B0, 16 bytes long.
 Data: <&#216;W(d&#246;           > D8 57 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BA0079EC50, 16 bytes long.
 Data: <P (d&#246;           > 50 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BA0079EDE0, 16 bytes long.
 Data: <0 (d&#246;           > 30 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BA0079E7A0, 16 bytes long.
 Data: <&#224; (d&#246;           > E0 02 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BA0079E8E0, 16 bytes long.
 Data: <  (d&#246;           > 10 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BA0079E200, 16 bytes long.
 Data: <p (d&#246;           > 70 04 28 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BA0079E750, 16 bytes long.
 Data: < &#192;&d&#246;           > 18 C0 26 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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