Task 38669763

Name test_599-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0540_0
Workunit 31612073
Created 25 Oct 2026, 15:30:49 UTC
Sent 25 Oct 2026, 15:30:56 UTC
Report deadline 30 Oct 2026, 15:30:56 UTC
Received 25 Oct 2026, 17:27:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601046
Run time 28 min 35 sec
CPU time 24 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.32 MB
Peak swap size 8.50 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:59:02 (23212): wrapper (7.9.26016): starting
12:59:02 (23212): 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
12:59:03 (23212): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:59:03 (23212): 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\21\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\21\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
13:26:04 (23212): C:/Windows/system32/cmd.exe exited; CPU time 1485.734375
13:26:04 (23212): called boinc_finish(0)
0 bytes in 0 Free Blocks.
462 bytes in 8 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: 31768729 bytes.
Dumping objects ->
{3835236} normal block at 0x0000025F107B4D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000025F107B4AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x0000025F107B5150, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835203} normal block at 0x0000025F107B4E40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000025F107B50E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835161} normal block at 0x0000025F1250C000, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x0000025F1251E680, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835147} normal block at 0x0000025F107AED40, 8 bytes long.
 Data: <  u _   > 00 00 75 10 5F 02 00 00 
{3834543} normal block at 0x0000025F1251F390, 103 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000025F107AF240, 8 bytes long.
 Data: <`&#130;O _   > 60 82 4F 12 5F 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025F107B1670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025F107A6670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000025F107B6060, 16 bytes long.
 Data: <Hi{ _           > 48 69 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025F107B59D0, 16 bytes long.
 Data: < i{ _           > 20 69 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025F107B0840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000025F107B5840, 16 bytes long.
 Data: <&#248;h{ _           > F8 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025F107B6100, 16 bytes long.
 Data: <&#208;h{ _           > D0 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025F107B5CA0, 16 bytes long.
 Data: <&#168;h{ _           > A8 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025F107B56B0, 16 bytes long.
 Data: < h{ _           > 80 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025F107B5000, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000025F107B5E30, 16 bytes long.
 Data: <X&#232;z _           > 58 E8 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025F107AFE20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000025F107B5980, 16 bytes long.
 Data: <0&#232;z _           > 30 E8 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025F107B63D0, 16 bytes long.
 Data: < &#232;z _           > 08 E8 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025F107B6560, 16 bytes long.
 Data: <&#224;&#231;z _           > E0 E7 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025F107B61A0, 16 bytes long.
 Data: <&#184;&#231;z _           > B8 E7 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025F107B6420, 16 bytes long.
 Data: < &#231;z _           > 90 E7 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025F107B5C50, 16 bytes long.
 Data: <h&#231;z _           > 68 E7 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025F107B0600, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000025F107B5F70, 16 bytes long.
 Data: <@&#231;z _           > 40 E7 7A 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025F107AE740, 320 bytes long.
 Data: <p_{ _     { _   > 70 5F 7B 10 5F 02 00 00 00 06 7B 10 5F 02 00 00 
{275} normal block at 0x0000025F107B6470, 16 bytes long.
 Data: <`h{ _           > 60 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025F107B6510, 16 bytes long.
 Data: <8h{ _           > 38 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025F107B07E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000025F107B5A70, 16 bytes long.
 Data: < h{ _           > 10 68 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025F107B0780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000025F107B6290, 16 bytes long.
 Data: <Xg{ _           > 58 67 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025F107B57F0, 16 bytes long.
 Data: <0g{ _           > 30 67 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025F107B6240, 16 bytes long.
 Data: < g{ _           > 08 67 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025F107B64C0, 16 bytes long.
 Data: <&#224;f{ _           > E0 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025F107B5930, 16 bytes long.
 Data: <&#184;f{ _           > B8 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025F107B58E0, 16 bytes long.
 Data: < f{ _           > 90 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025F107B5ED0, 16 bytes long.
 Data: < O{ _           > 20 4F 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025F107B4F20, 40 bytes long.
 Data: <&#208;^{ _    &#192;P _   > D0 5E 7B 10 5F 02 00 00 00 C0 50 12 5F 02 00 00 
{261} normal block at 0x0000025F107B5C00, 16 bytes long.
 Data: <pf{ _           > 70 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025F107B5B60, 16 bytes long.
 Data: <Hf{ _           > 48 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025F107B0960, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000025F107B61F0, 16 bytes long.
 Data: < f{ _           > 20 66 7B 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000025F107B6620, 992 bytes long.
 Data: <&#240;a{ _   `	{ _   > F0 61 7B 10 5F 02 00 00 60 09 7B 10 5F 02 00 00 
{93} normal block at 0x0000025F107AFBE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000025F107AEF70, 16 bytes long.
 Data: < &#226;y _           > 20 E2 79 10 5F 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000025F1079E220, 40 bytes long.
 Data: <p&#239;z _   &#224;&#251;z _   > 70 EF 7A 10 5F 02 00 00 E0 FB 7A 10 5F 02 00 00 
{70} normal block at 0x0000025F107AEB10, 16 bytes long.
 Data: < &#234;hc&#246;           > 80 EA 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025F107AF2E0, 16 bytes long.
 Data: <@&#233;hc&#246;           > 40 E9 68 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025F107AF330, 16 bytes long.
 Data: <&#248;Wec&#246;           > F8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025F107AF470, 16 bytes long.
 Data: <&#216;Wec&#246;           > D8 57 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025F107AF290, 16 bytes long.
 Data: <P ec&#246;           > 50 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025F107AF560, 16 bytes long.
 Data: <0 ec&#246;           > 30 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025F107AF1F0, 16 bytes long.
 Data: <&#224; ec&#246;           > E0 02 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025F107AEB60, 16 bytes long.
 Data: <  ec&#246;           > 10 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025F107AF830, 16 bytes long.
 Data: <p ec&#246;           > 70 04 65 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025F107AF1A0, 16 bytes long.
 Data: < &#192;cc&#246;           > 18 C0 63 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra