Task 38689130

Name test_525-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND0653_1
Workunit 31630346
Created 28 Oct 2026, 18:36:29 UTC
Sent 28 Oct 2026, 18:36:35 UTC
Report deadline 2 Nov 2026, 18:36:35 UTC
Received 28 Oct 2026, 19:49:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638123
Run time 42 min 8 sec
CPU time 37 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.07 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
15:08:09 (28108): wrapper (7.9.26016): starting
15:08:09 (28108): 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
15:08:10 (28108): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:08:10 (28108): 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\1\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\1\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
15:48:05 (28108): C:/Windows/system32/cmd.exe exited; CPU time 2246.375000
15:48:05 (28108): 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: 49063411 bytes.
Dumping objects ->
{3835478} normal block at 0x000001AB75F3A510, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835467} normal block at 0x000001AB75F3AAC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x000001AB75F3A6D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835445} normal block at 0x000001AB75F14C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835434} normal block at 0x000001AB75F14C10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835403} normal block at 0x000001AB77BB5E30, 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) : {3835390} normal block at 0x000001AB75F109F0, 8 bytes long.
 Data: <  &#237;u&#171;   > 00 00 ED 75 AB 01 00 00 
{3833961} normal block at 0x000001AB75F11170, 8 bytes long.
 Data: <PI&#193;w&#171;   > 50 49 C1 77 AB 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AB75F06600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AB75F07330, 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 0x000001AB75F168B0, 16 bytes long.
 Data: <&#232;Z&#241;u&#171;           > E8 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AB75F16540, 16 bytes long.
 Data: <&#192;Z&#241;u&#171;           > C0 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AB75F0FAD0, 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 0x000001AB75F16220, 16 bytes long.
 Data: < Z&#241;u&#171;           > 98 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AB75F15D20, 16 bytes long.
 Data: <pZ&#241;u&#171;           > 70 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AB75F169A0, 16 bytes long.
 Data: <HZ&#241;u&#171;           > 48 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AB75F16720, 16 bytes long.
 Data: < Z&#241;u&#171;           > 20 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AB75F14900, 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 0x000001AB75F161D0, 16 bytes long.
 Data: <&#248;T&#241;u&#171;           > F8 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AB75F10250, 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 0x000001AB75F15CD0, 16 bytes long.
 Data: <&#208;T&#241;u&#171;           > D0 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AB75F166D0, 16 bytes long.
 Data: <&#168;T&#241;u&#171;           > A8 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AB75F16A90, 16 bytes long.
 Data: < T&#241;u&#171;           > 80 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AB75F15D70, 16 bytes long.
 Data: <XT&#241;u&#171;           > 58 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AB75F164A0, 16 bytes long.
 Data: <0T&#241;u&#171;           > 30 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AB75F16630, 16 bytes long.
 Data: < T&#241;u&#171;           > 08 54 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AB75F10430, 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 0x000001AB75F16900, 16 bytes long.
 Data: <&#224;S&#241;u&#171;           > E0 53 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AB75F153E0, 320 bytes long.
 Data: < i&#241;u&#171;   0 &#241;u&#171;   > 00 69 F1 75 AB 01 00 00 30 04 F1 75 AB 01 00 00 
{276} normal block at 0x000001AB75F16680, 16 bytes long.
 Data: < Z&#241;u&#171;           > 00 5A F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AB75F15EB0, 16 bytes long.
 Data: <&#216;Y&#241;u&#171;           > D8 59 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AB75F104F0, 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 0x000001AB75F16950, 16 bytes long.
 Data: <&#176;Y&#241;u&#171;           > B0 59 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AB75F0FBF0, 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 0x000001AB75F16AE0, 16 bytes long.
 Data: <&#248;X&#241;u&#171;           > F8 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AB75F164F0, 16 bytes long.
 Data: <&#208;X&#241;u&#171;           > D0 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AB75F16860, 16 bytes long.
 Data: <&#168;X&#241;u&#171;           > A8 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AB75F16180, 16 bytes long.
 Data: < X&#241;u&#171;           > 80 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AB75F16770, 16 bytes long.
 Data: <XX&#241;u&#171;           > 58 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AB75F11530, 16 bytes long.
 Data: <0X&#241;u&#171;           > 30 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AB75F112B0, 16 bytes long.
 Data: <&#208;M&#241;u&#171;           > D0 4D F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AB75F14DD0, 40 bytes long.
 Data: <&#176; &#241;u&#171;   0^&#187;w&#171;   > B0 12 F1 75 AB 01 00 00 30 5E BB 77 AB 01 00 00 
{262} normal block at 0x000001AB75F11260, 16 bytes long.
 Data: < X&#241;u&#171;           > 10 58 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AB75F111C0, 16 bytes long.
 Data: <&#232;W&#241;u&#171;           > E8 57 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AB75F0FA10, 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 0x000001AB75F10FE0, 16 bytes long.
 Data: <&#192;W&#241;u&#171;           > C0 57 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AB75F157C0, 992 bytes long.
 Data: <&#224; &#241;u&#171;    &#250;&#240;u&#171;   > E0 0F F1 75 AB 01 00 00 10 FA F0 75 AB 01 00 00 
{94} normal block at 0x000001AB75F0FE30, 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 0x000001AB75F11350, 16 bytes long.
 Data: < H&#241;u&#171;           > 20 48 F1 75 AB 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AB75F14820, 40 bytes long.
 Data: <P &#241;u&#171;   0&#254;&#240;u&#171;   > 50 13 F1 75 AB 01 00 00 30 FE F0 75 AB 01 00 00 
{71} normal block at 0x000001AB75F11580, 16 bytes long.
 Data: < &#234;` &#247;           > 80 EA 60 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AB75F10950, 16 bytes long.
 Data: <@&#233;` &#247;           > 40 E9 60 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AB75F11030, 16 bytes long.
 Data: <&#248;W] &#247;           > F8 57 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AB75F10900, 16 bytes long.
 Data: <&#216;W] &#247;           > D8 57 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AB75F113F0, 16 bytes long.
 Data: <P ] &#247;           > 50 04 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AB75F10D10, 16 bytes long.
 Data: <0 ] &#247;           > 30 04 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AB75F10CC0, 16 bytes long.
 Data: <&#224; ] &#247;           > E0 02 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AB75F11850, 16 bytes long.
 Data: <  ] &#247;           > 10 04 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AB75F11210, 16 bytes long.
 Data: <p ] &#247;           > 70 04 5D 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AB75F10F40, 16 bytes long.
 Data: < &#192;[ &#247;           > 18 C0 5B 13 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra