Task 38676205
| Name | test_870-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2021_0 |
| Workunit | 31618133 |
| Created | 26 Oct 2026, 10:35:04 UTC |
| Sent | 26 Oct 2026, 10:35:09 UTC |
| Report deadline | 31 Oct 2026, 10:35:09 UTC |
| Received | 26 Oct 2026, 10:55:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646261 |
| Run time | 19 min 44 sec |
| CPU time | 18 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 39,048.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.52 MB |
| Peak swap size | 13.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:36:25 (46528): wrapper (7.9.26016): starting
11:36:25 (46528): 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
11:36:26 (46528): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:36:26 (46528): 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\1\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\1\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
11:55:22 (46528): C:/Windows/system32/cmd.exe exited; CPU time 1121.796875
11:55:22 (46528): 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: 24117577 bytes.
Dumping objects ->
{3835519} normal block at 0x0000027738B83630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835508} normal block at 0x0000027738B82DE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835497} normal block at 0x0000027738B83780, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835486} normal block at 0x0000027738B82D00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835475} normal block at 0x0000027738B839B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835444} normal block at 0x0000027738C2E310, 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) : {3835431} normal block at 0x0000027736E8D8D0, 8 bytes long.
Data: < 27w > 00 00 32 37 77 02 00 00
{3833967} normal block at 0x0000027736E8E460, 8 bytes long.
Data: <`GÍ8w > 60 47 CD 38 77 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000027736E919B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000027736E866E0, 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 0x0000027736E96820, 16 bytes long.
Data: <(oé6w > 28 6F E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000027736E96050, 16 bytes long.
Data: < oé6w > 00 6F E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027736E901A0, 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 0x0000027736E963C0, 16 bytes long.
Data: <Øné6w > D8 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027736E95DD0, 16 bytes long.
Data: <°né6w > B0 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027736E96410, 16 bytes long.
Data: < né6w > 88 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027736E962D0, 16 bytes long.
Data: <`né6w > 60 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027736E941B0, 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 0x0000027736E95F10, 16 bytes long.
Data: <Èøç6w > C8 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027736E904A0, 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 0x0000027736E95C90, 16 bytes long.
Data: < øç6w > A0 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027736E96460, 16 bytes long.
Data: <xøç6w > 78 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027736E95E70, 16 bytes long.
Data: <Pøç6w > 50 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027736E96140, 16 bytes long.
Data: <(øç6w > 28 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027736E967D0, 16 bytes long.
Data: < øç6w > 00 F8 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027736E96AA0, 16 bytes long.
Data: <Ø÷ç6w > D8 F7 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027736E8F840, 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 0x0000027736E96A50, 16 bytes long.
Data: <°÷ç6w > B0 F7 E7 36 77 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027736E7F7B0, 320 bytes long.
Data: <Pjé6w @øè6w > 50 6A E9 36 77 02 00 00 40 F8 E8 36 77 02 00 00
{279} normal block at 0x0000027736E95F60, 16 bytes long.
Data: <@né6w > 40 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027736E96730, 16 bytes long.
Data: < né6w > 18 6E E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027736E8FA20, 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 0x0000027736E965F0, 16 bytes long.
Data: <ðmé6w > F0 6D E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027736E8F9C0, 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 0x0000027736E969B0, 16 bytes long.
Data: <8mé6w > 38 6D E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027736E95EC0, 16 bytes long.
Data: < mé6w > 10 6D E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027736E95E20, 16 bytes long.
Data: <èlé6w > E8 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027736E95D80, 16 bytes long.
Data: <Àlé6w > C0 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027736E96000, 16 bytes long.
Data: < lé6w > 98 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027736E96960, 16 bytes long.
Data: <plé6w > 70 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027736E96B90, 16 bytes long.
Data: <@Aé6w > 40 41 E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027736E94140, 40 bytes long.
Data: < ké6w ãÂ8w > 90 6B E9 36 77 02 00 00 10 E3 C2 38 77 02 00 00
{265} normal block at 0x0000027736E95C40, 16 bytes long.
Data: <Plé6w > 50 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027736E96690, 16 bytes long.
Data: <(lé6w > 28 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027736E90440, 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 0x0000027736E96910, 16 bytes long.
Data: < lé6w > 00 6C E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027736E96C00, 992 bytes long.
Data: < ié6w @ é6w > 10 69 E9 36 77 02 00 00 40 04 E9 36 77 02 00 00
{97} normal block at 0x0000027736E8F5A0, 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 0x0000027736E8E1E0, 16 bytes long.
Data: <PDé6w > 50 44 E9 36 77 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x0000027736E94450, 40 bytes long.
Data: <àáè6w  õè6w > E0 E1 E8 36 77 02 00 00 A0 F5 E8 36 77 02 00 00
{74} normal block at 0x0000027736E8D880, 16 bytes long.
Data: < êT’ö > 80 EA 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000027736E8DC90, 16 bytes long.
Data: <@éT’ö > 40 E9 54 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000027736E8E4B0, 16 bytes long.
Data: <øWQ’ö > F8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000027736E8E280, 16 bytes long.
Data: <ØWQ’ö > D8 57 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027736E8E2D0, 16 bytes long.
Data: <P Q’ö > 50 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027736E8E190, 16 bytes long.
Data: <0 Q’ö > 30 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027736E8D830, 16 bytes long.
Data: <à Q’ö > E0 02 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027736E8E5F0, 16 bytes long.
Data: < Q’ö > 10 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027736E8E5A0, 16 bytes long.
Data: <p Q’ö > 70 04 51 92 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027736E8E230, 16 bytes long.
Data: < ÀO’ö > 18 C0 4F 92 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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