Task 38670308
| Name | test_94-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4104_0 |
| Workunit | 31612564 |
| Created | 25 Oct 2026, 17:07:11 UTC |
| Sent | 25 Oct 2026, 17:07:16 UTC |
| Report deadline | 30 Oct 2026, 17:07:16 UTC |
| Received | 25 Oct 2026, 18:05:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 624458 |
| Run time | 19 min 29 sec |
| CPU time | 19 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,355.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.63 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:46:31 (18728): wrapper (7.9.26016): starting
13:46:31 (18728): 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
13:46:32 (18728): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:46:32 (18728): 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
14:05:21 (18728): C:/Windows/system32/cmd.exe exited; CPU time 1145.500000
14:05:21 (18728): 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: 16034941 bytes.
Dumping objects ->
{3835562} normal block at 0x0000024431AA4740, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835551} normal block at 0x0000024431AA5230, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835540} normal block at 0x0000024431AA46D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835529} normal block at 0x0000024431AA50E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835518} normal block at 0x0000024431AA49E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835487} normal block at 0x0000024431AA2730, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835476} normal block at 0x0000024431B7EC60, 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) : {3835473} normal block at 0x000002442FD8EC00, 8 bytes long.
Data: < Ÿ1D > 00 00 9F 31 44 02 00 00
{3834695} normal block at 0x0000024431B7E8F0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000002442FD8EB60, 8 bytes long.
Data: <Àéæ/D > C0 E9 E6 2F 44 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002442FD90E50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002442FD86520, 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 0x000002442FD96660, 16 bytes long.
Data: <XWÙ/D > 58 57 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002442FD967F0, 16 bytes long.
Data: <0WÙ/D > 30 57 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002442FD90780, 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 0x000002442FD95DF0, 16 bytes long.
Data: < WÙ/D > 08 57 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002442FD95D00, 16 bytes long.
Data: <àVÙ/D > E0 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002442FD96610, 16 bytes long.
Data: <¸VÙ/D > B8 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002442FD95CB0, 16 bytes long.
Data: < VÙ/D > 90 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002442FD93830, 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 0x000002442FD96200, 16 bytes long.
Data: <hê×/D > 68 EA D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002442FD8FE20, 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 0x000002442FD96340, 16 bytes long.
Data: <@ê×/D > 40 EA D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002442FD95C60, 16 bytes long.
Data: < ê×/D > 18 EA D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002442FD96390, 16 bytes long.
Data: <ðé×/D > F0 E9 D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002442FD96430, 16 bytes long.
Data: <Èé×/D > C8 E9 D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002442FD95C10, 16 bytes long.
Data: < é×/D > A0 E9 D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002442FD964D0, 16 bytes long.
Data: <xé×/D > 78 E9 D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002442FD8F9A0, 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 0x000002442FD96020, 16 bytes long.
Data: <Pé×/D > 50 E9 D7 2F 44 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002442FD7E950, 320 bytes long.
Data: < `Ù/D  ùØ/D > 20 60 D9 2F 44 02 00 00 A0 F9 D8 2F 44 02 00 00
{279} normal block at 0x000002442FD95DA0, 16 bytes long.
Data: <pVÙ/D > 70 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002442FD962F0, 16 bytes long.
Data: <HVÙ/D > 48 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002442FD8FFA0, 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 0x000002442FD962A0, 16 bytes long.
Data: < VÙ/D > 20 56 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002442FD90000, 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 0x000002442FD96480, 16 bytes long.
Data: <hUÙ/D > 68 55 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002442FD965C0, 16 bytes long.
Data: <@UÙ/D > 40 55 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002442FD96250, 16 bytes long.
Data: < UÙ/D > 18 55 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002442FD95BC0, 16 bytes long.
Data: <ðTÙ/D > F0 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002442FD95FD0, 16 bytes long.
Data: <ÈTÙ/D > C8 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002442FD8EB10, 16 bytes long.
Data: < TÙ/D > A0 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002442FD8F2E0, 16 bytes long.
Data: <@;Ù/D > 40 3B D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002442FD93B40, 40 bytes long.
Data: <àòØ/D 0'ª1D > E0 F2 D8 2F 44 02 00 00 30 27 AA 31 44 02 00 00
{265} normal block at 0x000002442FD8EAC0, 16 bytes long.
Data: < TÙ/D > 80 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002442FD8EA70, 16 bytes long.
Data: <XTÙ/D > 58 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002442FD90240, 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 0x000002442FD8F880, 16 bytes long.
Data: <0TÙ/D > 30 54 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002442FD95430, 992 bytes long.
Data: < øØ/D @ Ù/D > 80 F8 D8 2F 44 02 00 00 40 02 D9 2F 44 02 00 00
{97} normal block at 0x000002442FD906C0, 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 0x000002442FD8EA20, 16 bytes long.
Data: < 8Ù/D > A0 38 D9 2F 44 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002442FD938A0, 40 bytes long.
Data: < êØ/D À Ù/D > 20 EA D8 2F 44 02 00 00 C0 06 D9 2F 44 02 00 00
{74} normal block at 0x000002442FD8ED40, 16 bytes long.
Data: < ê ÷ > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002442FD8E930, 16 bytes long.
Data: <@é ÷ > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002442FD8F790, 16 bytes long.
Data: <øW• ÷ > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002442FD8F830, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002442FD8F1A0, 16 bytes long.
Data: <P • ÷ > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002442FD8F3D0, 16 bytes long.
Data: <0 • ÷ > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002442FD8EBB0, 16 bytes long.
Data: <à • ÷ > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002442FD8E980, 16 bytes long.
Data: < • ÷ > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002442FD8F6F0, 16 bytes long.
Data: <p • ÷ > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002442FD8F560, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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