Task 38662027
| Name | test_791-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8434_1 |
| Workunit | 31605225 |
| Created | 24 Oct 2026, 16:44:48 UTC |
| Sent | 24 Oct 2026, 17:42:44 UTC |
| Report deadline | 29 Oct 2026, 17:42:44 UTC |
| Received | 24 Oct 2026, 21:12:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652623 |
| Run time | 25 min 10 sec |
| CPU time | 24 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.47 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:49:08 (23284): wrapper (7.9.26016): starting
13:49:08 (23284): 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
13:49:09 (23284): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:49:09 (23284): 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\33\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\33\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
14:13:25 (23284): C:/Windows/system32/cmd.exe exited; CPU time 1445.734375
14:13:25 (23284): 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: 34823921 bytes.
Dumping objects ->
{3835439} normal block at 0x000001EDF5DFCC40, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835428} normal block at 0x000001EDF41158A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x000001EDF4115830, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835406} normal block at 0x000001EDF41157C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835395} normal block at 0x000001EDF4115750, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835364} normal block at 0x000001EDF5DEAA10, 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) : {3835351} normal block at 0x000001EDF410FAF0, 8 bytes long.
Data: < ôí > 00 00 0B F4 ED 01 00 00
{3833967} normal block at 0x000001EDF41101D0, 8 bytes long.
Data: <ðé ôí > F0 E9 1E F4 ED 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001EDF4111D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001EDF4106A90, 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 0x000001EDF41168B0, 16 bytes long.
Data: <Èn ôí > C8 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EDF4116450, 16 bytes long.
Data: < n ôí > A0 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EDF410D740, 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 0x000001EDF4116220, 16 bytes long.
Data: <xn ôí > 78 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EDF4115CD0, 16 bytes long.
Data: <Pn ôí > 50 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EDF41163B0, 16 bytes long.
Data: <(n ôí > 28 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EDF4116040, 16 bytes long.
Data: < n ôí > 00 6E 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EDF41159F0, 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 0x000001EDF4115D20, 16 bytes long.
Data: < ” ôí > 08 94 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EDF410DCE0, 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 0x000001EDF4116B30, 16 bytes long.
Data: <à“ ôí > E0 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EDF4116860, 16 bytes long.
Data: <¸“ ôí > B8 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EDF4116270, 16 bytes long.
Data: < “ ôí > 90 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EDF4116130, 16 bytes long.
Data: <h“ ôí > 68 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EDF4115FA0, 16 bytes long.
Data: <@“ ôí > 40 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EDF4115EB0, 16 bytes long.
Data: < “ ôí > 18 93 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EDF410DC80, 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 0x000001EDF4115F50, 16 bytes long.
Data: <ð’ ôí > F0 92 10 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EDF41092F0, 320 bytes long.
Data: <P_ ôí Ü ôí > 50 5F 11 F4 ED 01 00 00 80 DC 10 F4 ED 01 00 00
{279} normal block at 0x000001EDF4116540, 16 bytes long.
Data: <àm ôí > E0 6D 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EDF41169A0, 16 bytes long.
Data: <¸m ôí > B8 6D 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EDF410E340, 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 0x000001EDF4116810, 16 bytes long.
Data: < m ôí > 90 6D 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EDF410DC20, 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 0x000001EDF4116360, 16 bytes long.
Data: <Øl ôí > D8 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EDF4116400, 16 bytes long.
Data: <°l ôí > B0 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EDF41166D0, 16 bytes long.
Data: < l ôí > 88 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EDF4115C80, 16 bytes long.
Data: <`l ôí > 60 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EDF4116900, 16 bytes long.
Data: <8l ôí > 38 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EDF41161D0, 16 bytes long.
Data: < l ôí > 10 6C 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EDF4116630, 16 bytes long.
Data: < Y ôí > 80 59 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EDF4115980, 40 bytes long.
Data: <0f ôí ªÞõí > 30 66 11 F4 ED 01 00 00 10 AA DE F5 ED 01 00 00
{265} normal block at 0x000001EDF41167C0, 16 bytes long.
Data: <ðk ôí > F0 6B 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EDF4116950, 16 bytes long.
Data: <Èk ôí > C8 6B 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EDF410DB60, 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 0x000001EDF4116680, 16 bytes long.
Data: < k ôí > A0 6B 11 F4 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EDF4116BA0, 992 bytes long.
Data: < f ôí `Û ôí > 80 66 11 F4 ED 01 00 00 60 DB 10 F4 ED 01 00 00
{97} normal block at 0x000001EDF410E280, 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 0x000001EDF410FAA0, 16 bytes long.
Data: <@ß ôí > 40 DF 0F F4 ED 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001EDF40FDF40, 40 bytes long.
Data: < ú ôí â ôí > A0 FA 10 F4 ED 01 00 00 80 E2 10 F4 ED 01 00 00
{74} normal block at 0x000001EDF410FFA0, 16 bytes long.
Data: < ê)C÷ > 80 EA 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EDF41100E0, 16 bytes long.
Data: <@é)C÷ > 40 E9 29 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EDF410F820, 16 bytes long.
Data: <øW&C÷ > F8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EDF410F5F0, 16 bytes long.
Data: <ØW&C÷ > D8 57 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EDF41102C0, 16 bytes long.
Data: <P &C÷ > 50 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EDF410FD20, 16 bytes long.
Data: <0 &C÷ > 30 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EDF410F7D0, 16 bytes long.
Data: <à &C÷ > E0 02 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EDF410F5A0, 16 bytes long.
Data: < &C÷ > 10 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EDF410FCD0, 16 bytes long.
Data: <p &C÷ > 70 04 26 43 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EDF4110310, 16 bytes long.
Data: < À$C÷ > 18 C0 24 43 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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