Task 38681740
| Name | test_274-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4459_0 |
| Workunit | 31623393 |
| Created | 27 Oct 2026, 5:10:15 UTC |
| Sent | 27 Oct 2026, 5:10:25 UTC |
| Report deadline | 1 Nov 2026, 5:10:25 UTC |
| Received | 27 Oct 2026, 6:22:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627984 |
| Run time | 36 min 25 sec |
| CPU time | 36 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,104.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 720.42 MB |
| Peak swap size | 14.34 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:43:12 (1044): wrapper (7.9.26016): starting
07:43:12 (1044): 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
07:43:14 (1044): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:43:14 (1044): 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\42\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\42\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
08:21:12 (1044): C:/Windows/system32/cmd.exe exited; CPU time 2185.593750
08:21:12 (1044): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 54371193 bytes.
Dumping objects ->
{3835235} normal block at 0x00000268AE771440, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x00000268AE771DE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x00000268AE7719F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835202} normal block at 0x00000268AE7718A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x00000268AE771050, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835160} normal block at 0x00000268AE81C1C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835149} normal block at 0x00000268AE81AA70, 180 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) : {3835145} normal block at 0x00000268AC9BFC70, 8 bytes long.
Data: < ”¬h > 00 00 94 AC 68 02 00 00
{3834543} normal block at 0x00000268AE81AE30, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833943} normal block at 0x00000268AC9BF950, 8 bytes long.
Data: <ð7®h > F0 37 90 AE 68 02 00 00
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000268AC9C0020, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000268AC9BBBF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{287} normal block at 0x00000268AC9B6530, 16 bytes long.
Data: <X&œ¬h > 58 26 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000268AC9B64E0, 16 bytes long.
Data: <0&œ¬h > 30 26 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000268AC9BBDA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{284} normal block at 0x00000268AC9B63F0, 16 bytes long.
Data: < &œ¬h > 08 26 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000268AC9B63A0, 16 bytes long.
Data: <à%œ¬h > E0 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000268AC9B6350, 16 bytes long.
Data: <¸%œ¬h > B8 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000268AC9B6300, 16 bytes long.
Data: <%œ¬h > 90 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000268AC9BA9C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{279} normal block at 0x00000268AC9B6120, 16 bytes long.
Data: < »›¬h > 88 BB 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000268AC9BCBE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{277} normal block at 0x00000268AC9B5EF0, 16 bytes long.
Data: <`»›¬h > 60 BB 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000268AC9B6260, 16 bytes long.
Data: <8»›¬h > 38 BB 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000268AC9B6170, 16 bytes long.
Data: < »›¬h > 10 BB 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000268AC9B68F0, 16 bytes long.
Data: <躛¬h > E8 BA 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000268AC9BFAE0, 16 bytes long.
Data: <Àº›¬h > C0 BA 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000268AC9BF8B0, 16 bytes long.
Data: < º›¬h > 98 BA 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000268AC9BBE00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{269} normal block at 0x00000268AC9BFC20, 16 bytes long.
Data: <pº›¬h > 70 BA 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000268AC9BBA70, 320 bytes long.
Data: < ü›¬h ¾›¬h > 20 FC 9B AC 68 02 00 00 00 BE 9B AC 68 02 00 00
{267} normal block at 0x00000268AC9BF860, 16 bytes long.
Data: <p%œ¬h > 70 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000268AC9BF810, 16 bytes long.
Data: <H%œ¬h > 48 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000268AC9BC520, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{264} normal block at 0x00000268AC9BFBD0, 16 bytes long.
Data: < %œ¬h > 20 25 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000268AC9BCAC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{262} normal block at 0x00000268AC9BFE00, 16 bytes long.
Data: <h$œ¬h > 68 24 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000268AC9BFB80, 16 bytes long.
Data: <@$œ¬h > 40 24 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000268AC9BFD10, 16 bytes long.
Data: < $œ¬h > 18 24 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000268AC9BFA40, 16 bytes long.
Data: <ð#œ¬h > F0 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000268AC9BF900, 16 bytes long.
Data: <È#œ¬h > C8 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000268AC9BFDB0, 16 bytes long.
Data: < #œ¬h > A0 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000268AC9BF7C0, 16 bytes long.
Data: <Ь›¬h > D0 AC 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000268AC9BACD0, 40 bytes long.
Data: <À÷›¬h ÀÁ®h > C0 F7 9B AC 68 02 00 00 C0 C1 81 AE 68 02 00 00
{253} normal block at 0x00000268AC9BFE50, 16 bytes long.
Data: <€#œ¬h > 80 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000268AC9BFA90, 16 bytes long.
Data: <X#œ¬h > 58 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000268AC9BC6A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{250} normal block at 0x00000268AC9BFD60, 16 bytes long.
Data: <0#œ¬h > 30 23 9C AC 68 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x00000268AC9C2330, 992 bytes long.
Data: <`ý›¬h  Æ›¬h > 60 FD 9B AC 68 02 00 00 A0 C6 9B AC 68 02 00 00
{85} normal block at 0x00000268AC9BCA60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{84} normal block at 0x00000268AC9B5EA0, 16 bytes long.
Data: < ª›¬h > A0 AA 9B AC 68 02 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x00000268AC9BAAA0, 40 bytes long.
Data: < ^›¬h `Ê›¬h > A0 5E 9B AC 68 02 00 00 60 CA 9B AC 68 02 00 00
{62} normal block at 0x00000268AC9B6850, 16 bytes long.
Data: <€êÒ~ö > 80 EA D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000268AC9B6BC0, 16 bytes long.
Data: <@éÒ~ö > 40 E9 D2 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000268AC9B6490, 16 bytes long.
Data: <øWÏ~ö > F8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000268AC9B5F90, 16 bytes long.
Data: <ØWÏ~ö > D8 57 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000268AC9B6210, 16 bytes long.
Data: <P Ï~ö > 50 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000268AC9B6800, 16 bytes long.
Data: <0 Ï~ö > 30 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000268AC9B67B0, 16 bytes long.
Data: <à Ï~ö > E0 02 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000268AC9B5DB0, 16 bytes long.
Data: < Ï~ö > 10 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000268AC9B5D10, 16 bytes long.
Data: <p Ï~ö > 70 04 CF 7E F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000268AC9B6B70, 16 bytes long.
Data: < ÀÍ~ö > 18 C0 CD 7E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra