Task 38667665

Name test_259-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND0641_0
Workunit 31610266
Created 25 Oct 2026, 8:54:48 UTC
Sent 25 Oct 2026, 8:55:05 UTC
Report deadline 30 Oct 2026, 8:55:05 UTC
Received 25 Oct 2026, 9:16:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643341
Run time 21 min 8 sec
CPU time 16 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 30,871.08 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.65 MB
Peak swap size 9.92 GB
Peak disk usage 3.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:56:39 (11536): wrapper (7.9.26016): starting
09:56:39 (11536): 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
09:56:40 (11536): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:56:40 (11536): 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 'D:\BOINC\slots\23\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 'D:\BOINC\slots\23\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
10:16:25 (11536): C:/Windows/system32/cmd.exe exited; CPU time 997.687500
10:16:25 (11536): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 25578679 bytes.
Dumping objects ->
{3835203} normal block at 0x0000019238035C80, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x000001923A286C30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x000001923A2868D0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x000001923A2867B0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x000001923A286990, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x0000019238036150, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835115} normal block at 0x000001923802CFD0, 8 bytes long.
 Data: <  &#238;7&#146;   > 00 00 EE 37 92 01 00 00 
{3833961} normal block at 0x000001923802CD00, 8 bytes long.
 Data: < 5):&#146;   > 00 35 29 3A 92 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019238025960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001923802EA40, 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 0x0000019238034560, 16 bytes long.
 Data: <xY 8&#146;           > 78 59 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000192380350F0, 16 bytes long.
 Data: <PY 8&#146;           > 50 59 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001923802FDB0, 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 0x0000019238034290, 16 bytes long.
 Data: <(Y 8&#146;           > 28 59 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019238034A60, 16 bytes long.
 Data: < Y 8&#146;           > 00 59 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019238034470, 16 bytes long.
 Data: <&#216;X 8&#146;           > D8 58 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019238034D80, 16 bytes long.
 Data: <&#176;X 8&#146;           > B0 58 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019238035D60, 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 0x0000019238034F10, 16 bytes long.
 Data: <8&#240; 8&#146;           > 38 F0 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000192380304D0, 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 0x0000019238034A10, 16 bytes long.
 Data: < &#240; 8&#146;           > 10 F0 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000192380350A0, 16 bytes long.
 Data: <&#232;&#239; 8&#146;           > E8 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019238034E70, 16 bytes long.
 Data: <&#192;&#239; 8&#146;           > C0 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019238034B50, 16 bytes long.
 Data: < &#239; 8&#146;           > 98 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019238035050, 16 bytes long.
 Data: <p&#239; 8&#146;           > 70 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000192380345B0, 16 bytes long.
 Data: <H&#239; 8&#146;           > 48 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001923802F8D0, 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 0x0000019238034600, 16 bytes long.
 Data: < &#239; 8&#146;           > 20 EF 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001923801EF20, 320 bytes long.
 Data: < F 8&#146;   &#208;&#248; 8&#146;   > 00 46 03 38 92 01 00 00 D0 F8 02 38 92 01 00 00 
{276} normal block at 0x00000192380346F0, 16 bytes long.
 Data: < X 8&#146;           > 90 58 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019238034D30, 16 bytes long.
 Data: <hX 8&#146;           > 68 58 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019238030050, 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 0x0000019238034AB0, 16 bytes long.
 Data: <@X 8&#146;           > 40 58 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001923802F870, 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 0x00000192380351E0, 16 bytes long.
 Data: < W 8&#146;           > 88 57 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019238034FB0, 16 bytes long.
 Data: <`W 8&#146;           > 60 57 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019238035140, 16 bytes long.
 Data: <8W 8&#146;           > 38 57 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019238034380, 16 bytes long.
 Data: < W 8&#146;           > 10 57 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000192380349C0, 16 bytes long.
 Data: <&#232;V 8&#146;           > E8 56 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019238034EC0, 16 bytes long.
 Data: <&#192;V 8&#146;           > C0 56 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019238034E20, 16 bytes long.
 Data: <p&#227; 8&#146;           > 70 E3 02 38 92 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001923802E370, 40 bytes long.
 Data: < N 8&#146;   Pa 8&#146;   > 20 4E 03 38 92 01 00 00 50 61 03 38 92 01 00 00 
{262} normal block at 0x0000019238034420, 16 bytes long.
 Data: <&#160;V 8&#146;           > A0 56 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019238034510, 16 bytes long.
 Data: <xV 8&#146;           > 78 56 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001923802F810, 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 0x00000192380344C0, 16 bytes long.
 Data: <PV 8&#146;           > 50 56 03 38 92 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019238035650, 992 bytes long.
 Data: <&#192;D 8&#146;    &#248; 8&#146;   > C0 44 03 38 92 01 00 00 10 F8 02 38 92 01 00 00 
{94} normal block at 0x0000019238030650, 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 0x000001923802D6B0, 16 bytes long.
 Data: <&#208;&#243; 8&#146;           > D0 F3 01 38 92 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001923801F3D0, 40 bytes long.
 Data: <&#176;&#214; 8&#146;   P  8&#146;   > B0 D6 02 38 92 01 00 00 50 06 03 38 92 01 00 00 
{71} normal block at 0x000001923802CF30, 16 bytes long.
 Data: < &#234;.Z&#246;           > 80 EA 2E 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001923802CE90, 16 bytes long.
 Data: <@&#233;.Z&#246;           > 40 E9 2E 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001923802D610, 16 bytes long.
 Data: <&#248;W+Z&#246;           > F8 57 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001923802D5C0, 16 bytes long.
 Data: <&#216;W+Z&#246;           > D8 57 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001923802D570, 16 bytes long.
 Data: <P +Z&#246;           > 50 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001923802D020, 16 bytes long.
 Data: <0 +Z&#246;           > 30 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001923802CD50, 16 bytes long.
 Data: <&#224; +Z&#246;           > E0 02 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001923802D250, 16 bytes long.
 Data: <  +Z&#246;           > 10 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001923802CE40, 16 bytes long.
 Data: <p +Z&#246;           > 70 04 2B 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001923802CDA0, 16 bytes long.
 Data: < &#192;)Z&#246;           > 18 C0 29 5A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra