Task 38648904

Name	test_640-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND1538_0
Workunit	31593583
Created	23 Oct 2026, 20:54:54 UTC
Sent	24 Oct 2026, 3:10:10 UTC
Report deadline	29 Oct 2026, 3:10:10 UTC
Received	24 Oct 2026, 3:51:22 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	654792
Run time	14 min 13 sec
CPU time	14 min 4 sec
Validate state	Valid
Credit	60,000.00
Device peak FLOPS	48,740.91 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	724.84 MB
Peak swap size	6.98 GB
Peak disk usage	2.97 GB
Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:33:43 (16976): wrapper (7.9.26016): starting
05:33:43 (16976): 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
05:33:44 (16976): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:33:44 (16976): 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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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 'F:\Festplattenpogramme\Boinc\Boincy\slots\16\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.
05:45:56 (16976): C:/Windows/system32/cmd.exe exited; CPU time 723.015625
05:45:56 (16976): app exit status: 0x40010004
05:45:56 (16976): called boinc_finish(195)
05:47:46 (26104): wrapper (7.9.26016): starting
05:47:46 (26104): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file F:\Festplattenpogramme\Boinc\Boincy\slots\16\tmp already exists.
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
05:51:04 (26104): C:/Windows/system32/cmd.exe exited; CPU time 165.812500
05:51:04 (26104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
352 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: 3943426 bytes.
Dumping objects ->
{1927} normal block at 0x000001E18563C320, 64 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{1916} normal block at 0x000001E18563C2A0, 64 bytes long.
 Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{1905} normal block at 0x000001E1856555E0, 64 bytes long.
 Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74 
{1894} normal block at 0x000001E185655560, 64 bytes long.
 Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{1883} normal block at 0x000001E18563E590, 64 bytes long.
 Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C 
{1852} normal block at 0x000001E185646D20, 80 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
..\api\boinc_api.cpp(309) : {1839} normal block at 0x000001E1856563F0, 8 bytes long.
 Data: <        > 00 00 9E 85 E1 01 00 00 
{309} normal block at 0x000001E185656350, 8 bytes long.
 Data: < je     > B0 6A 65 85 E1 01 00 00 
{300} normal block at 0x000001E185646C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001E185656300, 16 bytes long.
 Data: < ie             > B8 69 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001E1856562B0, 16 bytes long.
 Data: < ie             > 90 69 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E18564EE00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001E185655D60, 16 bytes long.
 Data: <hie             > 68 69 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001E185656210, 16 bytes long.
 Data: <@ie             > 40 69 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E185655C20, 16 bytes long.
 Data: < ie             > 18 69 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E1856561C0, 16 bytes long.
 Data: < he             > F0 68 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E185654AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001E185655900, 16 bytes long.
 Data: <  d             > F8 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001E18564F100, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001E185655860, 16 bytes long.
 Data: <  d             > D0 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E185655F90, 16 bytes long.
 Data: <  d             > A8 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E185655D10, 16 bytes long.
 Data: <  d             > 80 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E185656170, 16 bytes long.
 Data: <X d             > 58 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E185656530, 16 bytes long.
 Data: <0 d             > 30 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E185656580, 16 bytes long.
 Data: <  d             > 08 90 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E18564ED40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001E1856564E0, 16 bytes long.
 Data: <  d             > E0 8F 64 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E185648FE0, 320 bytes long.
 Data: < de     @ d     > E0 64 65 85 E1 01 00 00 40 ED 64 85 E1 01 00 00 
{279} normal block at 0x000001E1856560D0, 16 bytes long.
 Data: < he             > D0 68 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E1856558B0, 16 bytes long.
 Data: < he             > A8 68 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E18564FA00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001E185656080, 16 bytes long.
 Data: < he             > 80 68 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001E18564F040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001E185656260, 16 bytes long.
 Data: < ge             > C8 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001E185655BD0, 16 bytes long.
 Data: < ge             > A0 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E185655A90, 16 bytes long.
 Data: <xge             > 78 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E185655E00, 16 bytes long.
 Data: <Pge             > 50 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E185655B80, 16 bytes long.
 Data: <(ge             > 28 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E185655A40, 16 bytes long.
 Data: < ge             > 00 67 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E185656120, 16 bytes long.
 Data: <pMe             > 70 4D 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E185654D70, 40 bytes long.
 Data: < ae      md     > 20 61 65 85 E1 01 00 00 20 6D 64 85 E1 01 00 00 
{265} normal block at 0x000001E1856559A0, 16 bytes long.
 Data: < fe             > E0 66 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E1856563A0, 16 bytes long.
 Data: < fe             > B8 66 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E18564F9A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001E185655F40, 16 bytes long.
 Data: < fe             > 90 66 65 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E185656690, 992 bytes long.
 Data: <@_e       d     > 40 5F 65 85 E1 01 00 00 A0 F9 64 85 E1 01 00 00 
{97} normal block at 0x000001E18564F880, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001E18564E0B0, 16 bytes long.
 Data: <  c             > 20 E5 63 85 E1 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001E18563E520, 40 bytes long.
 Data: <  d       d     > B0 E0 64 85 E1 01 00 00 80 F8 64 85 E1 01 00 00 
{74} normal block at 0x000001E18564E060, 16 bytes long.
 Data: <  i             > 80 EA 69 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001E18564D4D0, 16 bytes long.
 Data: <@ i             > 40 E9 69 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E18564D5C0, 16 bytes long.
 Data: < Wf             > F8 57 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E18564E100, 16 bytes long.
 Data: < Wf             > D8 57 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E18564D3E0, 16 bytes long.
 Data: <P f             > 50 04 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E18564E010, 16 bytes long.
 Data: <0 f             > 30 04 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E18564D570, 16 bytes long.
 Data: <  f             > E0 02 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E18564D8E0, 16 bytes long.
 Data: <  f             > 10 04 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E18564DD40, 16 bytes long.
 Data: <p f             > 70 04 66 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E18564D610, 16 bytes long.
 Data: <  d             > 18 C0 64 93 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>