Task 38660977

Name test_749-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND1962_0
Workunit 31604433
Created 24 Oct 2026, 15:01:37 UTC
Sent 24 Oct 2026, 15:08:33 UTC
Report deadline 29 Oct 2026, 15:08:33 UTC
Received 24 Oct 2026, 19:12:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 31 min 15 sec
CPU time 27 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.90 MB
Peak swap size 3.81 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:13:32 (8712): wrapper (7.9.26016): starting
18:13:32 (8712): 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
18:13:34 (8712): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:13:34 (8712): 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 'E:\BOINC\slots\8\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 'E:\BOINC\slots\8\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
18:43:39 (8712): C:/Windows/system32/cmd.exe exited; CPU time 1633.109375
18:43:39 (8712): 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: 30630233 bytes.
Dumping objects ->
{3835522} normal block at 0x000001883FF78D20, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x0000018841BF7FB0, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x0000018841BF77D0, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x0000018841BF7D70, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x0000018841BF7590, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000001883FF79880, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001883FF46D90, 8 bytes long.
 Data: <  &#241;?    > 00 00 F1 3F 88 01 00 00 
{3833955} normal block at 0x000001883FF476A0, 8 bytes long.
 Data: <`^ @    > 60 5E 02 40 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001883FF54750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001883FF35F40, 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 0x000001883FF55C90, 16 bytes long.
 Data: <Hh&#245;?            > 48 68 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001883FF55AB0, 16 bytes long.
 Data: < h&#245;?            > 20 68 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001883FF4C1B0, 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 0x000001883FF55560, 16 bytes long.
 Data: <&#248;g&#245;?            > F8 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001883FF55C40, 16 bytes long.
 Data: <&#208;g&#245;?            > D0 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001883FF55BA0, 16 bytes long.
 Data: <&#168;g&#245;?            > A8 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001883FF55A60, 16 bytes long.
 Data: < g&#245;?            > 80 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001883FF4D560, 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 0x000001883FF564B0, 16 bytes long.
 Data: <&#216;^&#243;?            > D8 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001883FF4C150, 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 0x000001883FF55CE0, 16 bytes long.
 Data: <&#176;^&#243;?            > B0 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001883FF55A10, 16 bytes long.
 Data: < ^&#243;?            > 88 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001883FF561E0, 16 bytes long.
 Data: <`^&#243;?            > 60 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001883FF55880, 16 bytes long.
 Data: <8^&#243;?            > 38 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001883FF56460, 16 bytes long.
 Data: < ^&#243;?            > 10 5E F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001883FF55650, 16 bytes long.
 Data: <&#232;]&#243;?            > E8 5D F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001883FF4C090, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{275} normal block at 0x000001883FF56280, 16 bytes long.
 Data: <&#192;]&#243;?            > C0 5D F3 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001883FF35DC0, 320 bytes long.
 Data: < b&#245;?     &#192;&#244;?    > 80 62 F5 3F 88 01 00 00 90 C0 F4 3F 88 01 00 00 
{273} normal block at 0x000001883FF55F60, 16 bytes long.
 Data: <`g&#245;?            > 60 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001883FF56410, 16 bytes long.
 Data: <8g&#245;?            > 38 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001883FF4C330, 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 0x000001883FF55830, 16 bytes long.
 Data: < g&#245;?            > 10 67 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001883FF4BBB0, 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 0x000001883FF55FB0, 16 bytes long.
 Data: <Xf&#245;?            > 58 66 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001883FF55600, 16 bytes long.
 Data: <0f&#245;?            > 30 66 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001883FF55920, 16 bytes long.
 Data: < f&#245;?            > 08 66 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001883FF559C0, 16 bytes long.
 Data: <&#224;e&#245;?            > E0 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001883FF55B50, 16 bytes long.
 Data: <&#184;e&#245;?            > B8 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001883FF56140, 16 bytes long.
 Data: < e&#245;?            > 90 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001883FF56190, 16 bytes long.
 Data: <P&#210;&#244;?            > 50 D2 F4 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001883FF4D250, 40 bytes long.
 Data: < a&#245;?      &#247;?    > 90 61 F5 3F 88 01 00 00 80 98 F7 3F 88 01 00 00 
{259} normal block at 0x000001883FF557E0, 16 bytes long.
 Data: <pe&#245;?            > 70 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001883FF55740, 16 bytes long.
 Data: <He&#245;?            > 48 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001883FF4C2D0, 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 0x000001883FF55790, 16 bytes long.
 Data: < e&#245;?            > 20 65 F5 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001883FF56520, 992 bytes long.
 Data: < W&#245;?    &#208;&#194;&#244;?    > 90 57 F5 3F 88 01 00 00 D0 C2 F4 3F 88 01 00 00 
{91} normal block at 0x000001883FF4B970, 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 0x000001883FF46C50, 16 bytes long.
 Data: <&#240;&#212;&#244;?            > F0 D4 F4 3F 88 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001883FF4D4F0, 40 bytes long.
 Data: <Pl&#244;?    p&#185;&#244;?    > 50 6C F4 3F 88 01 00 00 70 B9 F4 3F 88 01 00 00 
{68} normal block at 0x000001883FF46A20, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001883FF47420, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001883FF46E30, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001883FF469D0, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001883FF46A70, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001883FF470B0, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001883FF47330, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001883FF46C00, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001883FF46F70, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001883FF472E0, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra