Task 38663874

Name test_931-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND4781_0
Workunit 31607066
Created 24 Oct 2026, 22:51:45 UTC
Sent 24 Oct 2026, 22:51:49 UTC
Report deadline 29 Oct 2026, 22:51:49 UTC
Received 25 Oct 2026, 1:45:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 645421
Run time 2 hours 31 min 22 sec
CPU time 2 hours 28 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,390.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.79 MB
Peak swap size 5.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:13:27 (15772): wrapper (7.9.26016): starting
16:13:27 (15772): 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
16:13:29 (15772): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:13:29 (15772): 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\12\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\12\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
18:43:32 (15772): C:/Windows/system32/cmd.exe exited; CPU time 8902.531250
18:43:32 (15772): 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: 152734203 bytes.
Dumping objects ->
{3835203} normal block at 0x0000027D4FEFC780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000027D4E264700, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000027D4E2643F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x0000027D4E264540, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000027D4E2645B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000027D4FF4AFB0, 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) : {3835115} normal block at 0x0000027D4E25F600, 8 bytes long.
 Data: <  rN}   > 00 00 72 4E 7D 02 00 00 
{3833963} normal block at 0x0000027D4E25FF60, 8 bytes long.
 Data: < &#230;3N}   > 20 E6 33 4E 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000027D4E260430, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000027D4E24F0E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000027D4E265B60, 16 bytes long.
 Data: < Q&N}           > 08 51 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027D4E265CA0, 16 bytes long.
 Data: <&#224;P&N}           > E0 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027D4E25EA70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000027D4E266060, 16 bytes long.
 Data: <&#184;P&N}           > B8 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027D4E265C00, 16 bytes long.
 Data: < P&N}           > 90 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027D4E265A20, 16 bytes long.
 Data: <hP&N}           > 68 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027D4E2661A0, 16 bytes long.
 Data: <@P&N}           > 40 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027D4E264070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000027D4E265B10, 16 bytes long.
 Data: <  %N}           > 98 01 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027D4E25EF50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000027D4E2659D0, 16 bytes long.
 Data: <p %N}           > 70 01 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027D4E265ED0, 16 bytes long.
 Data: <H %N}           > 48 01 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027D4E265980, 16 bytes long.
 Data: <  %N}           > 20 01 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027D4E265A70, 16 bytes long.
 Data: <&#248; %N}           > F8 00 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027D4E265930, 16 bytes long.
 Data: <&#208; %N}           > D0 00 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027D4E265570, 16 bytes long.
 Data: <&#168; %N}           > A8 00 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027D4E25E7D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000027D4E265E80, 16 bytes long.
 Data: <  %N}           > 80 00 25 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027D4E250080, 320 bytes long.
 Data: < ^&N}   &#208;&#231;%N}   > 80 5E 26 4E 7D 02 00 00 D0 E7 25 4E 7D 02 00 00 
{277} normal block at 0x0000027D4E265AC0, 16 bytes long.
 Data: < P&N}           > 20 50 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027D4E265C50, 16 bytes long.
 Data: <&#248;O&N}           > F8 4F 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027D4E25EE30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000027D4E265480, 16 bytes long.
 Data: <&#208;O&N}           > D0 4F 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027D4E25EDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000027D4E2658E0, 16 bytes long.
 Data: < O&N}           > 18 4F 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027D4E265660, 16 bytes long.
 Data: <&#240;N&N}           > F0 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027D4E265FC0, 16 bytes long.
 Data: <&#200;N&N}           > C8 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027D4E2654D0, 16 bytes long.
 Data: <&#160;N&N}           > A0 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027D4E265BB0, 16 bytes long.
 Data: <xN&N}           > 78 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027D4E25F5B0, 16 bytes long.
 Data: <PN&N}           > 50 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027D4E25F510, 16 bytes long.
 Data: <pG&N}           > 70 47 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027D4E264770, 40 bytes long.
 Data: < &#245;%N}   &#176;&#175;&#244;O}   > 10 F5 25 4E 7D 02 00 00 B0 AF F4 4F 7D 02 00 00 
{263} normal block at 0x0000027D4E25F240, 16 bytes long.
 Data: <0N&N}           > 30 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027D4E25FCE0, 16 bytes long.
 Data: < N&N}           > 08 4E 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027D4E25E710, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000027D4E25F380, 16 bytes long.
 Data: <&#224;M&N}           > E0 4D 26 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027D4E264DE0, 992 bytes long.
 Data: < &#243;%N}    &#231;%N}   > 80 F3 25 4E 7D 02 00 00 10 E7 25 4E 7D 02 00 00 
{95} normal block at 0x0000027D4E25E170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000027D4E25F060, 16 bytes long.
 Data: <&#208;&#228;$N}           > D0 E4 24 4E 7D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000027D4E24E4D0, 40 bytes long.
 Data: <`&#240;%N}   p&#225;%N}   > 60 F0 25 4E 7D 02 00 00 70 E1 25 4E 7D 02 00 00 
{72} normal block at 0x0000027D4E25FD80, 16 bytes long.
 Data: < &#234;&#145;&#188;&#246;           > 80 EA 91 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000027D4E25FFB0, 16 bytes long.
 Data: <@&#233;&#145;&#188;&#246;           > 40 E9 91 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027D4E25FC90, 16 bytes long.
 Data: <&#248;W&#142;&#188;&#246;           > F8 57 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027D4E25FB00, 16 bytes long.
 Data: <&#216;W&#142;&#188;&#246;           > D8 57 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027D4E25FD30, 16 bytes long.
 Data: <P &#142;&#188;&#246;           > 50 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027D4E25F6F0, 16 bytes long.
 Data: <0 &#142;&#188;&#246;           > 30 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027D4E25F650, 16 bytes long.
 Data: <&#224; &#142;&#188;&#246;           > E0 02 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027D4E25F6A0, 16 bytes long.
 Data: <  &#142;&#188;&#246;           > 10 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027D4E25F560, 16 bytes long.
 Data: <p &#142;&#188;&#246;           > 70 04 8E BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027D4E25F3D0, 16 bytes long.
 Data: < &#192;&#140;&#188;&#246;           > 18 C0 8C BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra