Task 38681794
| Name | test_651-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND8236_0 |
| Workunit | 31623445 |
| Created | 27 Oct 2026, 5:23:28 UTC |
| Sent | 27 Oct 2026, 5:23:37 UTC |
| Report deadline | 1 Nov 2026, 5:23:37 UTC |
| Received | 27 Oct 2026, 7:08:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 57 min 54 sec |
| CPU time | 38 min 47 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.07 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.93 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
14:15:21 (38756): wrapper (7.9.26016): starting
14:15:21 (38756): 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
14:15:23 (38756): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:15:23 (38756): 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\28\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\28\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
15:07:22 (38756): C:/Windows/system32/cmd.exe exited; CPU time 2327.875000
15:07:22 (38756): 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: 74972165 bytes.
Dumping objects ->
{3842498} normal block at 0x0000022674E0A170, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842487} normal block at 0x0000022674E0A8E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842476} normal block at 0x0000022674E09ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3842465} normal block at 0x0000022674E0ACD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3842454} normal block at 0x0000022674E0ABF0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3842423} normal block at 0x00000226713C1360, 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) : {3842410} normal block at 0x0000022671399D20, 8 bytes long.
Data: < r& > 00 00 EA 72 26 02 00 00
{3841204} normal block at 0x0000022671399B90, 8 bytes long.
Data: < t& > C0 89 E0 74 26 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002267136C680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000022671366280, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000022671399AF0, 16 bytes long.
Data: <x 9q& > 78 C7 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000226713999B0, 16 bytes long.
Data: <P 9q& > 50 C7 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002267137E1F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000226713998C0, 16 bytes long.
Data: <( 9q& > 28 C7 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000226713993C0, 16 bytes long.
Data: < 9q& > 00 C7 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022671399370, 16 bytes long.
Data: < 9q& > D8 C6 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022671399280, 16 bytes long.
Data: < 9q& > B0 C6 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002267137F9A0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000022671399910, 16 bytes long.
Data: < 9q& > A8 C1 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002267137DCB0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000022671399A00, 16 bytes long.
Data: < 9q& > 80 C1 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000022671399230, 16 bytes long.
Data: <X 9q& > 58 C1 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022671399870, 16 bytes long.
Data: <0 9q& > 30 C1 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022671399190, 16 bytes long.
Data: < 9q& > 08 C1 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022671399820, 16 bytes long.
Data: < 9q& > E0 C0 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022671399780, 16 bytes long.
Data: < 9q& > B8 C0 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002267137DDD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000022671399FA0, 16 bytes long.
Data: < 9q& > 90 C0 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002267139C090, 320 bytes long.
Data: < 9q& 7q& > A0 9F 39 71 26 02 00 00 D0 DD 37 71 26 02 00 00
{277} normal block at 0x0000022671399E60, 16 bytes long.
Data: < 9q& > 90 C6 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022671399C80, 16 bytes long.
Data: <h 9q& > 68 C6 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002267137D5F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000226713997D0, 16 bytes long.
Data: <@ 9q& > 40 C6 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002267137D7D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000022671399730, 16 bytes long.
Data: < 9q& > 88 C5 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000226713990F0, 16 bytes long.
Data: <` 9q& > 60 C5 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000022671399E10, 16 bytes long.
Data: <8 9q& > 38 C5 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022671399640, 16 bytes long.
Data: < 9q& > 10 C5 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000226713996E0, 16 bytes long.
Data: < 9q& > E8 C4 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022671399A50, 16 bytes long.
Data: < 9q& > C0 C4 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022671399550, 16 bytes long.
Data: <P 7q& > 50 F8 37 71 26 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002267137F850, 40 bytes long.
Data: <P 9q& ` <q& > 50 95 39 71 26 02 00 00 60 13 3C 71 26 02 00 00
{263} normal block at 0x00000226713990A0, 16 bytes long.
Data: < 9q& > A0 C4 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022671399140, 16 bytes long.
Data: <x 9q& > 78 C4 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002267137E250, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000022671399DC0, 16 bytes long.
Data: <P 9q& > 50 C4 39 71 26 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002267139C450, 992 bytes long.
Data: < 9q& P 7q& > C0 9D 39 71 26 02 00 00 50 E2 37 71 26 02 00 00
{95} normal block at 0x000002267137D8F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000226713992D0, 16 bytes long.
Data: <@ 7q& > 40 F5 37 71 26 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000002267137F540, 40 bytes long.
Data: < 9q& 7q& > D0 92 39 71 26 02 00 00 F0 D8 37 71 26 02 00 00
{70} normal block at 0x0000022671370540, 16 bytes long.
Data: < FY > 80 EA 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000226713704F0, 16 bytes long.
Data: <@ FY > 40 E9 46 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002267136FDC0, 16 bytes long.
Data: < WCY > F8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022671370450, 16 bytes long.
Data: < WCY > D8 57 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022671370A90, 16 bytes long.
Data: <P CY > 50 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022671370A40, 16 bytes long.
Data: <0 CY > 30 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000226713703B0, 16 bytes long.
Data: < CY > E0 02 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002267136FD70, 16 bytes long.
Data: < CY > 10 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022671370360, 16 bytes long.
Data: <p CY > 70 04 43 59 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022671370180, 16 bytes long.
Data: < AY > 18 C0 41 59 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra