Task 38650765

Name test_478-GPUGRID_TEST_ATM_4STEP_20261023-2-4-RND9277_1
Workunit 31595029
Created 24 Oct 2026, 0:11:50 UTC
Sent 24 Oct 2026, 0:24:52 UTC
Report deadline 29 Oct 2026, 0:24:52 UTC
Received 24 Oct 2026, 3:09:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 17 min 44 sec
CPU time 17 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 726.54 MB
Peak swap size 5.47 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
04:49:28 (24032): wrapper (7.9.26016): starting
04:49:28 (24032): 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
04:49:29 (24032): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:49:29 (24032): 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\0\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\0\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
05:08:01 (24032): C:/Windows/system32/cmd.exe exited; CPU time 1064.578125
05:08:01 (24032): 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: 24509599 bytes.
Dumping objects ->
{3835256} normal block at 0x000002081337CF80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000208116445A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000020811644530, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x00000208116447D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000020811644990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x00000208133C8070, 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) : {3835168} normal block at 0x000002081163FF30, 8 bytes long.
 Data: <  &#173;     > 00 00 AD 11 08 02 00 00 
{3833957} normal block at 0x000002081163FB20, 8 bytes long.
 Data: <`XE     > 60 58 45 13 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000208116366C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000208116375B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000020811645100, 16 bytes long.
 Data: <Hcd             > 48 63 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020811645E70, 16 bytes long.
 Data: < cd             > 20 63 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000208116409F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000208116452E0, 16 bytes long.
 Data: <&#248;bd             > F8 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020811645600, 16 bytes long.
 Data: <&#208;bd             > D0 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000208116450B0, 16 bytes long.
 Data: <&#168;bd             > A8 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020811645E20, 16 bytes long.
 Data: < bd             > 80 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020811644760, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000020811645C40, 16 bytes long.
 Data: < &#158;c             > 08 9E 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020811640510, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000020811645BA0, 16 bytes long.
 Data: <&#224; c             > E0 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000208116455B0, 16 bytes long.
 Data: <&#184; c             > B8 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020811645B50, 16 bytes long.
 Data: <  c             > 90 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020811645B00, 16 bytes long.
 Data: <h c             > 68 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000208116451F0, 16 bytes long.
 Data: <@ c             > 40 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000208116451A0, 16 bytes long.
 Data: <  c             > 18 9D 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020811640C90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000020811645DD0, 16 bytes long.
 Data: <&#240;&#156;c             > F0 9C 63 11 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020811639CF0, 320 bytes long.
 Data: <&#208;]d       d     > D0 5D 64 11 08 02 00 00 90 0C 64 11 08 02 00 00 
{274} normal block at 0x0000020811645290, 16 bytes long.
 Data: <`bd             > 60 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020811645AB0, 16 bytes long.
 Data: <8bd             > 38 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000208116411D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000208116457E0, 16 bytes long.
 Data: < bd             > 10 62 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020811640930, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000020811645560, 16 bytes long.
 Data: <Xad             > 58 61 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000208116459C0, 16 bytes long.
 Data: <0ad             > 30 61 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020811645240, 16 bytes long.
 Data: < ad             > 08 61 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020811645D30, 16 bytes long.
 Data: <&#224;`d             > E0 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020811645CE0, 16 bytes long.
 Data: <&#184;`d             > B8 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020811645970, 16 bytes long.
 Data: < `d             > 90 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000208116454C0, 16 bytes long.
 Data: <&#240;Fd             > F0 46 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000208116446F0, 40 bytes long.
 Data: <&#192;Td     p <     > C0 54 64 11 08 02 00 00 70 80 3C 13 08 02 00 00 
{260} normal block at 0x0000020811645920, 16 bytes long.
 Data: <p`d             > 70 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020811645510, 16 bytes long.
 Data: <H`d             > 48 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020811640810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000020811645470, 16 bytes long.
 Data: < `d             > 20 60 64 11 08 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020811646020, 992 bytes long.
 Data: <pTd       d     > 70 54 64 11 08 02 00 00 10 08 64 11 08 02 00 00 
{92} normal block at 0x0000020811640570, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002081163F6C0, 16 bytes long.
 Data: <&#192;&#238;b             > C0 EE 62 11 08 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002081162EEC0, 40 bytes long.
 Data: <&#192;&#246;c     p d     > C0 F6 63 11 08 02 00 00 70 05 64 11 08 02 00 00 
{69} normal block at 0x000002081163F990, 16 bytes long.
 Data: < &#234;0&#185;&#247;           > 80 EA 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000208116401B0, 16 bytes long.
 Data: <@&#233;0&#185;&#247;           > 40 E9 30 B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002081163FD00, 16 bytes long.
 Data: <&#248;W-&#185;&#247;           > F8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002081163F7B0, 16 bytes long.
 Data: <&#216;W-&#185;&#247;           > D8 57 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002081163FAD0, 16 bytes long.
 Data: <P -&#185;&#247;           > 50 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002081163FFD0, 16 bytes long.
 Data: <0 -&#185;&#247;           > 30 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002081163F620, 16 bytes long.
 Data: <&#224; -&#185;&#247;           > E0 02 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002081163F530, 16 bytes long.
 Data: <  -&#185;&#247;           > 10 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002081163FE90, 16 bytes long.
 Data: <p -&#185;&#247;           > 70 04 2D B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002081163FE40, 16 bytes long.
 Data: < &#192;+&#185;&#247;           > 18 C0 2B B9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra