Task 38681241

Name test_247-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND4008_0
Workunit 31622917
Created 27 Oct 2026, 3:14:08 UTC
Sent 27 Oct 2026, 3:14:14 UTC
Report deadline 1 Nov 2026, 3:14:14 UTC
Received 28 Oct 2026, 2:23:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 59 min 22 sec
CPU time 55 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.78 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:25:09 (17284): wrapper (7.9.26016): starting
02:25:09 (17284): 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
02:25:10 (17284): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:25:10 (17284): 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\7\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\7\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: Exiting with failure status due to previous errors
03:23:06 (17284): C:/Windows/system32/cmd.exe exited; CPU time 3337.359375
03:23:06 (17284): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 58039107 bytes.
Dumping objects ->
{3835239} normal block at 0x0000024C2D754440, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000024C2D7543D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000024C2D754670, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000024C2D754360, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000024C2D754280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x0000024C2F3A4740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x0000024C2D7ADE30, 144 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) : {3835150} normal block at 0x0000024C2D74E030, 8 bytes long.
 Data: <  q-L   > 00 00 71 2D 4C 02 00 00 
{3834550} normal block at 0x0000024C2D7ACC50, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000024C2D74EB20, 8 bytes long.
 Data: <&#192; w-L   > C0 8F 77 2D 4C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000024C2D74FC40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024C2D7457C0, 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 0x0000024C2D755620, 16 bytes long.
 Data: < \u-L           > 88 5C 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024C2D754D10, 16 bytes long.
 Data: <`\u-L           > 60 5C 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024C2D74F470, 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 0x0000024C2D7556C0, 16 bytes long.
 Data: <8\u-L           > 38 5C 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024C2D755530, 16 bytes long.
 Data: < \u-L           > 10 5C 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024C2D755080, 16 bytes long.
 Data: <&#232;[u-L           > E8 5B 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024C2D755490, 16 bytes long.
 Data: <&#192;[u-L           > C0 5B 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024C2D7542F0, 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 0x0000024C2D755440, 16 bytes long.
 Data: <x&#134;t-L           > 78 86 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024C2D74F710, 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 0x0000024C2D7553F0, 16 bytes long.
 Data: <P&#134;t-L           > 50 86 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024C2D754C70, 16 bytes long.
 Data: <(&#134;t-L           > 28 86 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024C2D755350, 16 bytes long.
 Data: < &#134;t-L           > 00 86 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024C2D755300, 16 bytes long.
 Data: <&#216;&#133;t-L           > D8 85 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024C2D754BD0, 16 bytes long.
 Data: <&#176;&#133;t-L           > B0 85 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024C2D754E50, 16 bytes long.
 Data: < &#133;t-L           > 88 85 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024C2D74F6B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000024C2D7554E0, 16 bytes long.
 Data: <`&#133;t-L           > 60 85 74 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024C2D748560, 320 bytes long.
 Data: <&#224;Tu-L   &#176;&#246;t-L   > E0 54 75 2D 4C 02 00 00 B0 F6 74 2D 4C 02 00 00 
{273} normal block at 0x0000024C2D754A90, 16 bytes long.
 Data: <&#160;[u-L           > A0 5B 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024C2D7549F0, 16 bytes long.
 Data: <x[u-L           > 78 5B 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024C2D74ECF0, 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 0x0000024C2D754E00, 16 bytes long.
 Data: <P[u-L           > 50 5B 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024C2D74F410, 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 0x0000024C2D754A40, 16 bytes long.
 Data: < Zu-L           > 98 5A 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024C2D755260, 16 bytes long.
 Data: <pZu-L           > 70 5A 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024C2D7552B0, 16 bytes long.
 Data: <HZu-L           > 48 5A 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024C2D755170, 16 bytes long.
 Data: < Zu-L           > 20 5A 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024C2D754D60, 16 bytes long.
 Data: <&#248;Yu-L           > F8 59 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024C2D754B80, 16 bytes long.
 Data: <&#208;Yu-L           > D0 59 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024C2D754EF0, 16 bytes long.
 Data: < Eu-L           > 20 45 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024C2D754520, 40 bytes long.
 Data: <&#240;Nu-L   @G:/L   > F0 4E 75 2D 4C 02 00 00 40 47 3A 2F 4C 02 00 00 
{259} normal block at 0x0000024C2D7553A0, 16 bytes long.
 Data: <&#176;Yu-L           > B0 59 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024C2D754CC0, 16 bytes long.
 Data: < Yu-L           > 88 59 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024C2D74F050, 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 0x0000024C2D7550D0, 16 bytes long.
 Data: <`Yu-L           > 60 59 75 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024C2D755960, 992 bytes long.
 Data: <&#208;Pu-L   P&#240;t-L   > D0 50 75 2D 4C 02 00 00 50 F0 74 2D 4C 02 00 00 
{91} normal block at 0x0000024C2D74F590, 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 0x0000024C2D74E7B0, 16 bytes long.
 Data: <&#240;&#237;s-L           > F0 ED 73 2D 4C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000024C2D73EDF0, 40 bytes long.
 Data: <&#176;&#231;t-L    &#245;t-L   > B0 E7 74 2D 4C 02 00 00 90 F5 74 2D 4C 02 00 00 
{68} normal block at 0x0000024C2D74DD60, 16 bytes long.
 Data: < &#234;u &#246;           > 80 EA 75 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024C2D74E940, 16 bytes long.
 Data: <@&#233;u &#246;           > 40 E9 75 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024C2D74DF40, 16 bytes long.
 Data: <&#248;Wr &#246;           > F8 57 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024C2D74E580, 16 bytes long.
 Data: <&#216;Wr &#246;           > D8 57 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024C2D74DFE0, 16 bytes long.
 Data: <P r &#246;           > 50 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024C2D74EA30, 16 bytes long.
 Data: <0 r &#246;           > 30 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024C2D74E760, 16 bytes long.
 Data: <&#224; r &#246;           > E0 02 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024C2D74E490, 16 bytes long.
 Data: <  r &#246;           > 10 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024C2D74EAD0, 16 bytes long.
 Data: <p r &#246;           > 70 04 72 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024C2D74E530, 16 bytes long.
 Data: < &#192;p &#246;           > 18 C0 70 81 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra