Task 38684542
| Name | test_49-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5276_0 |
| Workunit | 31626053 |
| Created | 27 Oct 2026, 16:53:21 UTC |
| Sent | 27 Oct 2026, 16:53:30 UTC |
| Report deadline | 1 Nov 2026, 16:53:30 UTC |
| Received | 27 Oct 2026, 17:56:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 478420 |
| Run time | 1 hours 2 min 13 sec |
| CPU time | 57 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 656.24 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.99 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:55:55 (27836): wrapper (7.9.26016): starting
18:55:55 (27836): 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
18:55:57 (27836): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:55:57 (27836): 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\8\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\8\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
19:56:05 (27836): C:/Windows/system32/cmd.exe exited; CPU time 3440.812500
19:56:05 (27836): 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: 56369319 bytes.
Dumping objects ->
{3835257} normal block at 0x000002368E6708B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000002368E6714F0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x000002368E671020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835224} normal block at 0x000002368E670D80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000002368E670BC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835182} normal block at 0x000002368E795EB0, 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) : {3835169} normal block at 0x000002368CCD9050, 8 bytes long.
Data: < hŽ6 > 00 00 68 8E 36 02 00 00
{3833951} normal block at 0x000002368CCD8920, 8 bytes long.
Data: <pÙzŽ6 > 70 D9 7A 8E 36 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002368CCE3C70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002368CCCB320, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002368CCE5890, 16 bytes long.
Data: < _Ό6 > 18 5F CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002368CCE57F0, 16 bytes long.
Data: <ð^ÎŒ6 > F0 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002368CCDFD10, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002368CCE5660, 16 bytes long.
Data: <È^ÎŒ6 > C8 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002368CCE55C0, 16 bytes long.
Data: < ^ÎŒ6 > A0 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002368CCE4C60, 16 bytes long.
Data: <x^Ό6 > 78 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002368CCE5520, 16 bytes long.
Data: <P^Ό6 > 50 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002368CCDDE30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002368CCE57A0, 16 bytes long.
Data: <HîÍŒ6 > 48 EE CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002368CCDF170, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002368CCE4FD0, 16 bytes long.
Data: < îÍŒ6 > 20 EE CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002368CCE5930, 16 bytes long.
Data: <øíÍŒ6 > F8 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002368CCE5480, 16 bytes long.
Data: <ÐíÍŒ6 > D0 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002368CCE5610, 16 bytes long.
Data: <¨íÍŒ6 > A8 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002368CCE5750, 16 bytes long.
Data: < íÍŒ6 > 80 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002368CCE4E40, 16 bytes long.
Data: <XíÍŒ6 > 58 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002368CCDF890, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002368CCE4C10, 16 bytes long.
Data: <0íÍŒ6 > 30 ED CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002368CCDED30, 320 bytes long.
Data: < LÎŒ6 øÍŒ6 > 10 4C CE 8C 36 02 00 00 90 F8 CD 8C 36 02 00 00
{271} normal block at 0x000002368CCE5570, 16 bytes long.
Data: <0^Ό6 > 30 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002368CCE4F80, 16 bytes long.
Data: < ^Ό6 > 08 5E CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002368CCDFC50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002368CCE5700, 16 bytes long.
Data: <à]ÎŒ6 > E0 5D CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002368CCDF4D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002368CCE53E0, 16 bytes long.
Data: <(]Ό6 > 28 5D CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002368CCE54D0, 16 bytes long.
Data: < ]Ό6 > 00 5D CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002368CCE5840, 16 bytes long.
Data: <Ø\ÎŒ6 > D8 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002368CCE5430, 16 bytes long.
Data: <°\ÎŒ6 > B0 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002368CCE4B70, 16 bytes long.
Data: < \Ό6 > 88 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002368CCE4BC0, 16 bytes long.
Data: <`\Ό6 > 60 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002368CCE4CB0, 16 bytes long.
Data: <°ÚÍŒ6 > B0 DA CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002368CCDDAB0, 40 bytes long.
Data: <°LÎŒ6 °^yŽ6 > B0 4C CE 8C 36 02 00 00 B0 5E 79 8E 36 02 00 00
{257} normal block at 0x000002368CCE4B20, 16 bytes long.
Data: <@\Ό6 > 40 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002368CCE4AD0, 16 bytes long.
Data: < \Ό6 > 18 5C CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002368CCDFDD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002368CCE51B0, 16 bytes long.
Data: <ð[ÎŒ6 > F0 5B CE 8C 36 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002368CCE5BF0, 992 bytes long.
Data: <°QÎŒ6 ÐýÍŒ6 > B0 51 CE 8C 36 02 00 00 D0 FD CD 8C 36 02 00 00
{89} normal block at 0x000002368CCDF470, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002368CCD88D0, 16 bytes long.
Data: < ÛÍŒ6 > 90 DB CD 8C 36 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002368CCDDB90, 40 bytes long.
Data: <Ð ÍŒ6 pôÍŒ6 > D0 88 CD 8C 36 02 00 00 70 F4 CD 8C 36 02 00 00
{66} normal block at 0x000002368CCD9000, 16 bytes long.
Data: < ê "ö > 80 EA 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002368CCD8AB0, 16 bytes long.
Data: <@é "ö > 40 E9 90 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002368CCD8F10, 16 bytes long.
Data: <øW "ö > F8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002368CCD8C90, 16 bytes long.
Data: <ØW "ö > D8 57 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002368CCD9140, 16 bytes long.
Data: <P "ö > 50 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002368CCD8FB0, 16 bytes long.
Data: <0 "ö > 30 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002368CCD8740, 16 bytes long.
Data: <à "ö > E0 02 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002368CCD86F0, 16 bytes long.
Data: < "ö > 10 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002368CCD8C40, 16 bytes long.
Data: <p "ö > 70 04 8D 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002368CCD8BF0, 16 bytes long.
Data: < À‹"ö > 18 C0 8B 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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