Task 38683788
| Name | test_151-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9594_0 |
| Workunit | 31625333 |
| Created | 27 Oct 2026, 13:19:36 UTC |
| Sent | 27 Oct 2026, 13:19:43 UTC |
| Report deadline | 1 Nov 2026, 13:19:43 UTC |
| Received | 27 Oct 2026, 13:41:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622645 |
| Run time | 21 min 3 sec |
| CPU time | 19 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 46,093.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 732.68 MB |
| Peak swap size | 6.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:20:46 (35820): wrapper (7.9.26016): starting
14:20:46 (35820): 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
14:20:47 (35820): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:20:47 (35820): 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
14:40:51 (35820): C:/Windows/system32/cmd.exe exited; CPU time 1185.375000
14:40:51 (35820): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23350907 bytes.
Dumping objects ->
{3835277} normal block at 0x000001BBD083EBA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x000001BBD083E4A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x000001BBCECD60B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x000001BBCECD6040, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000001BBCECD5FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x000001BBD0886A10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001BBD08A0240, 102 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) : {3835188} normal block at 0x000001BBCECD05A0, 8 bytes long.
Data: < Ï» > 00 00 17 CF BB 01 00 00
{3834570} normal block at 0x000001BBD08A05B0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x000001BBCECD0410, 8 bytes long.
Data: <ðUÍλ > F0 55 CD CE BB 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001BBCECCF0E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001BBCECC66F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001BBCECD74B0, 16 bytes long.
Data: <ØyÍλ > D8 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001BBCECD6DD0, 16 bytes long.
Data: <°yÍλ > B0 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001BBCECD0DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001BBCECD6920, 16 bytes long.
Data: < yÍλ > 88 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001BBCECD75F0, 16 bytes long.
Data: <`yÍλ > 60 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001BBCECD73C0, 16 bytes long.
Data: <8yÍλ > 38 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001BBCECD6740, 16 bytes long.
Data: < yÍλ > 10 79 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001BBCECD6190, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001BBCECD6AB0, 16 bytes long.
Data: <xøÌλ > 78 F8 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001BBCECD1270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001BBCECD72D0, 16 bytes long.
Data: <PøÌλ > 50 F8 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001BBCECD7230, 16 bytes long.
Data: <(øÌλ > 28 F8 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001BBCECD7410, 16 bytes long.
Data: < øÌλ > 00 F8 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001BBCECD7140, 16 bytes long.
Data: <Ø÷Ìλ > D8 F7 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001BBCECD68D0, 16 bytes long.
Data: <°÷Ìλ > B0 F7 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001BBCECD7460, 16 bytes long.
Data: < ÷Ìλ > 88 F7 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001BBCECD1570, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001BBCECD70F0, 16 bytes long.
Data: <`÷Ìλ > 60 F7 CC CE BB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001BBCECCF760, 320 bytes long.
Data: <ðpÍλ p Íλ > F0 70 CD CE BB 01 00 00 70 15 CD CE BB 01 00 00
{276} normal block at 0x000001BBCECD66F0, 16 bytes long.
Data: <ðxÍλ > F0 78 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001BBCECD6C90, 16 bytes long.
Data: <ÈxÍλ > C8 78 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001BBCECD0D30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001BBCECD6C40, 16 bytes long.
Data: < xÍλ > A0 78 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001BBCECD0C70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001BBCECD6F60, 16 bytes long.
Data: <èwÍλ > E8 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001BBCECD70A0, 16 bytes long.
Data: <ÀwÍλ > C0 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001BBCECD6BF0, 16 bytes long.
Data: < wÍλ > 98 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001BBCECD7280, 16 bytes long.
Data: <pwÍλ > 70 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001BBCECD7050, 16 bytes long.
Data: <HwÍλ > 48 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001BBCECD67E0, 16 bytes long.
Data: < wÍλ > 20 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001BBCECD7370, 16 bytes long.
Data: < aÍλ > 20 61 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001BBCECD6120, 40 bytes long.
Data: <psÍλ j л > 70 73 CD CE BB 01 00 00 10 6A 88 D0 BB 01 00 00
{262} normal block at 0x000001BBCECD75A0, 16 bytes long.
Data: < wÍλ > 00 77 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001BBCECD7000, 16 bytes long.
Data: <ØvÍλ > D8 76 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001BBCECD0C10, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001BBCECD7320, 16 bytes long.
Data: <°vÍλ > B0 76 CD CE BB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001BBCECD76B0, 992 bytes long.
Data: < sÍλ Íλ > 20 73 CD CE BB 01 00 00 10 0C CD CE BB 01 00 00
{94} normal block at 0x000001BBCECD0B50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001BBCECD03C0, 16 bytes long.
Data: <`èËλ > 60 E8 CB CE BB 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001BBCECBE860, 40 bytes long.
Data: <À Íλ P Íλ > C0 03 CD CE BB 01 00 00 50 0B CD CE BB 01 00 00
{71} normal block at 0x000001BBCECCFBF0, 16 bytes long.
Data: < êàäö > 80 EA E0 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001BBCECD0500, 16 bytes long.
Data: <@éàäö > 40 E9 E0 E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001BBCECD0320, 16 bytes long.
Data: <øWÝäö > F8 57 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001BBCECD06E0, 16 bytes long.
Data: <ØWÝäö > D8 57 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001BBCECD0550, 16 bytes long.
Data: <P Ýäö > 50 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001BBCECD05F0, 16 bytes long.
Data: <0 Ýäö > 30 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001BBCECCFF10, 16 bytes long.
Data: <à Ýäö > E0 02 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001BBCECCFA60, 16 bytes long.
Data: < Ýäö > 10 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001BBCECD0910, 16 bytes long.
Data: <p Ýäö > 70 04 DD E4 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001BBCECD0140, 16 bytes long.
Data: < ÀÛäö > 18 C0 DB E4 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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