Task 38694741

Name test_599-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0540_0
Workunit 31635475
Created 31 Oct 2026, 1:47:22 UTC
Sent 31 Oct 2026, 1:47:27 UTC
Report deadline 5 Nov 2026, 1:47:27 UTC
Received 31 Oct 2026, 3:39:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 55 min 53 sec
CPU time 50 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.59 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
03:43:51 (15152): wrapper (7.9.26016): starting
03:43:51 (15152): 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
03:43:53 (15152): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:43:53 (15152): 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\6\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\6\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
04:37:57 (15152): C:/Windows/system32/cmd.exe exited; CPU time 3034.390625
04:37:57 (15152): 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: 37674755 bytes.
Dumping objects ->
{3835245} normal block at 0x000002CEC9A21360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000002CEC9A21980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002CEC9A21BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000002CEC9A21C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000002CEC9A21830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000002CEC9ACC580, 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) : {3835157} normal block at 0x000002CEC80318C0, 8 bytes long.
 Data: <   &#200;&#206;   > 00 00 00 C8 CE 02 00 00 
{3833945} normal block at 0x000002CEC80315F0, 8 bytes long.
 Data: <&#176; &#172;&#201;&#206;   > B0 01 AC C9 CE 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002CEC8032110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002CEC801C080, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002CEC8028440, 16 bytes long.
 Data: <&#248;1 &#200;&#206;           > F8 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002CEC80283A0, 16 bytes long.
 Data: <&#208;1 &#200;&#206;           > D0 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002CEC802E200, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002CEC8028260, 16 bytes long.
 Data: <&#168;1 &#200;&#206;           > A8 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002CEC8028350, 16 bytes long.
 Data: < 1 &#200;&#206;           > 80 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002CEC80281C0, 16 bytes long.
 Data: <X1 &#200;&#206;           > 58 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002CEC8028120, 16 bytes long.
 Data: <01 &#200;&#206;           > 30 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002CEC802C570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002CEC80282B0, 16 bytes long.
 Data: <&#216;[ &#200;&#206;           > D8 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002CEC802D900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002CEC80280D0, 16 bytes long.
 Data: <&#176;[ &#200;&#206;           > B0 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002CEC80275E0, 16 bytes long.
 Data: < [ &#200;&#206;           > 88 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002CEC8027EA0, 16 bytes long.
 Data: <`[ &#200;&#206;           > 60 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002CEC8027E50, 16 bytes long.
 Data: <8[ &#200;&#206;           > 38 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002CEC80315A0, 16 bytes long.
 Data: < [ &#200;&#206;           > 10 5B 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002CEC8031550, 16 bytes long.
 Data: <&#232;Z &#200;&#206;           > E8 5A 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002CEC802E1A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002CEC8031500, 16 bytes long.
 Data: <&#192;Z &#200;&#206;           > C0 5A 01 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002CEC8015AC0, 320 bytes long.
 Data: <   &#200;&#206;   &#160;&#225; &#200;&#206;   > 00 15 03 C8 CE 02 00 00 A0 E1 02 C8 CE 02 00 00 
{268} normal block at 0x000002CEC8031410, 16 bytes long.
 Data: < 1 &#200;&#206;           > 10 31 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002CEC80313C0, 16 bytes long.
 Data: <&#232;0 &#200;&#206;           > E8 30 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002CEC802DC60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002CEC8031370, 16 bytes long.
 Data: <&#192;0 &#200;&#206;           > C0 30 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002CEC802E320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002CEC8031320, 16 bytes long.
 Data: < 0 &#200;&#206;           > 08 30 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002CEC80312D0, 16 bytes long.
 Data: <&#224;/ &#200;&#206;           > E0 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002CEC8031640, 16 bytes long.
 Data: <&#184;/ &#200;&#206;           > B8 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002CEC8031A00, 16 bytes long.
 Data: < / &#200;&#206;           > 90 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002CEC8031820, 16 bytes long.
 Data: <h/ &#200;&#206;           > 68 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002CEC80317D0, 16 bytes long.
 Data: <@/ &#200;&#206;           > 40 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002CEC8031780, 16 bytes long.
 Data: < &#193; &#200;&#206;           > 80 C1 02 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002CEC802C180, 40 bytes long.
 Data: <   &#200;&#206;    &#197;&#172;&#201;&#206;   > 80 17 03 C8 CE 02 00 00 80 C5 AC C9 CE 02 00 00 
{254} normal block at 0x000002CEC8031730, 16 bytes long.
 Data: < / &#200;&#206;           > 20 2F 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002CEC80319B0, 16 bytes long.
 Data: <&#248;. &#200;&#206;           > F8 2E 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002CEC802E260, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002CEC8031960, 16 bytes long.
 Data: <&#208;. &#200;&#206;           > D0 2E 03 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002CEC8032ED0, 992 bytes long.
 Data: <`  &#200;&#206;   `&#226; &#200;&#206;   > 60 19 03 C8 CE 02 00 00 60 E2 02 C8 CE 02 00 00 
{86} normal block at 0x000002CEC802E080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002CEC8027F40, 16 bytes long.
 Data: < &#197; &#200;&#206;           > 00 C5 02 C8 CE 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002CEC802C500, 40 bytes long.
 Data: <@  &#200;&#206;    &#224; &#200;&#206;   > 40 7F 02 C8 CE 02 00 00 80 E0 02 C8 CE 02 00 00 
{63} normal block at 0x000002CEC8027F90, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002CEC8027C20, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002CEC8027B30, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002CEC8027A90, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002CEC8027860, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002CEC8027720, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002CEC80279F0, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002CEC8028030, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002CEC80276D0, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002CEC8027BD0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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