Task 38699075
| Name | test_592-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5502_0 |
| Workunit | 31639519 |
| Created | 3 Nov 2026, 13:07:42 UTC |
| Sent | 3 Nov 2026, 13:07:45 UTC |
| Report deadline | 8 Nov 2026, 13:07:45 UTC |
| Received | 3 Nov 2026, 13:57:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654894 |
| Run time | 18 min 35 sec |
| CPU time | 17 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.61 MB |
| Peak swap size | 6.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:38:46 (27824): wrapper (7.9.26016): starting
05:38:46 (27824): 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
05:38:47 (27824): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:38:47 (27824): 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
05:57:03 (27824): C:/Windows/system32/cmd.exe exited; CPU time 1066.406250
05:57:03 (27824): 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: 22779211 bytes.
Dumping objects ->
{3835204} normal block at 0x000002BF84529380, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000002BF845292A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000002BF84529070, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835171} normal block at 0x000002BF845298C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835160} normal block at 0x000002BF84528AC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835129} normal block at 0x000002BF862D8690, 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) : {3835116} normal block at 0x000002BF844FF510, 8 bytes long.
Data: < œ„¿ > 00 00 9C 84 BF 02 00 00
{3833967} normal block at 0x000002BF844FFA60, 8 bytes long.
Data: <p@3†¿ > 70 40 33 86 BF 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002BF84501580, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002BF844F5EF0, 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 0x000002BF845056E0, 16 bytes long.
Data: < hP„¿ > 88 68 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002BF84506270, 16 bytes long.
Data: <`hP„¿ > 60 68 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002BF84500570, 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 0x000002BF84506220, 16 bytes long.
Data: <8hP„¿ > 38 68 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002BF84506130, 16 bytes long.
Data: < hP„¿ > 10 68 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002BF84506450, 16 bytes long.
Data: <ègP„¿ > E8 67 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002BF84505A00, 16 bytes long.
Data: <ÀgP„¿ > C0 67 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002BF844FD7E0, 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 0x000002BF845061D0, 16 bytes long.
Data: <èöN„¿ > E8 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BF84500450, 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 0x000002BF84505A50, 16 bytes long.
Data: <ÀöN„¿ > C0 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BF84505E60, 16 bytes long.
Data: < öN„¿ > 98 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002BF84505F50, 16 bytes long.
Data: <pöN„¿ > 70 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BF845060E0, 16 bytes long.
Data: <HöN„¿ > 48 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BF84506090, 16 bytes long.
Data: < öN„¿ > 20 F6 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BF84505DC0, 16 bytes long.
Data: <øõN„¿ > F8 F5 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BF844FFF10, 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 0x000002BF84505E10, 16 bytes long.
Data: <ÐõN„¿ > D0 F5 4E 84 BF 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BF844EF5D0, 320 bytes long.
Data: < ^P„¿ ÿO„¿ > 10 5E 50 84 BF 02 00 00 10 FF 4F 84 BF 02 00 00
{279} normal block at 0x000002BF84505BE0, 16 bytes long.
Data: < gP„¿ > A0 67 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002BF84505690, 16 bytes long.
Data: <xgP„¿ > 78 67 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BF844FFEB0, 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 0x000002BF84505B40, 16 bytes long.
Data: <PgP„¿ > 50 67 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BF844FFE50, 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 0x000002BF845063B0, 16 bytes long.
Data: < fP„¿ > 98 66 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BF84505640, 16 bytes long.
Data: <pfP„¿ > 70 66 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BF845057D0, 16 bytes long.
Data: <HfP„¿ > 48 66 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002BF84505FF0, 16 bytes long.
Data: < fP„¿ > 20 66 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BF84505870, 16 bytes long.
Data: <øeP„¿ > F8 65 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002BF84505D20, 16 bytes long.
Data: <ÐeP„¿ > D0 65 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BF84506180, 16 bytes long.
Data: <0ÙO„¿ > 30 D9 4F 84 BF 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002BF844FD930, 40 bytes long.
Data: < aP„¿ †-†¿ > 80 61 50 84 BF 02 00 00 90 86 2D 86 BF 02 00 00
{265} normal block at 0x000002BF845055F0, 16 bytes long.
Data: <°eP„¿ > B0 65 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002BF84505960, 16 bytes long.
Data: < eP„¿ > 88 65 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BF84500330, 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 0x000002BF845059B0, 16 bytes long.
Data: <`eP„¿ > 60 65 50 84 BF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BF84506560, 992 bytes long.
Data: <°YP„¿ 0 P„¿ > B0 59 50 84 BF 02 00 00 30 03 50 84 BF 02 00 00
{97} normal block at 0x000002BF845003F0, 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 0x000002BF844FF600, 16 bytes long.
Data: < ×O„¿ > 00 D7 4F 84 BF 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002BF844FD700, 40 bytes long.
Data: < öO„¿ ð P„¿ > 00 F6 4F 84 BF 02 00 00 F0 03 50 84 BF 02 00 00
{74} normal block at 0x000002BF844FFD30, 16 bytes long.
Data: < ê„"ö > 80 EA 84 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002BF844FF920, 16 bytes long.
Data: <@é„"ö > 40 E9 84 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002BF844FFCE0, 16 bytes long.
Data: <øW "ö > F8 57 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002BF844FFC40, 16 bytes long.
Data: <ØW "ö > D8 57 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002BF844FF380, 16 bytes long.
Data: <P "ö > 50 04 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002BF844FFC90, 16 bytes long.
Data: <0 "ö > 30 04 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002BF844FF5B0, 16 bytes long.
Data: <à "ö > E0 02 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002BF844FF650, 16 bytes long.
Data: < "ö > 10 04 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002BF844FF6A0, 16 bytes long.
Data: <p "ö > 70 04 81 22 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002BF844FF3D0, 16 bytes long.
Data: < À "ö > 18 C0 7F 22 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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