Task 38582289
| Name | HIF2A_A33_A02_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND4549_0 |
| Workunit | 31546622 |
| Created | 13 Dec 2025, 0:55:30 UTC |
| Sent | 13 Dec 2025, 0:55:37 UTC |
| Report deadline | 18 Dec 2025, 0:55:37 UTC |
| Received | 13 Dec 2025, 5:40:17 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639495 |
| Run time | 2 hours 21 min |
| CPU time | 2 hours 21 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,519.59 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 480.72 MB |
| Peak swap size | 9.67 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
04:22:51 (10524): wrapper (7.9.26016): starting
04:22:51 (10524): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A02_0.pdb
QB_A33_A02_0.xml
QB_A33_A02_equil.pdb
QB_A33_A02.inpcrd
QB_A33_A02_input.yaml
QB_A33_A02_mdlambda.pdb
QB_A33_A02_min.pdb
QB_A33_A02_npt.pdb
QB_A33_A02.pdb
QB_A33_A02.prmtop
QB_A33_A02_sys.xml
QB_A33_A02_therm.pdb
run.bat
run.sh
04:22:52 (10524): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:22:52 (10524): 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 'X:\BOINC_Data\02_9002\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 'X:\BOINC_Data\02_9002\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: Exiting with failure status due to previous errors
06:39:19 (10524): C:/Windows/system32/cmd.exe exited; CPU time 8460.046875
06:39:19 (10524): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 151704279 bytes.
Dumping objects ->
{3835649} normal block at 0x000001D8B3FE5240, 48 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835638} normal block at 0x000001D8B3FE55C0, 48 bytes long.
Data: <HOME=X:\BOINC_DA> 48 4F 4D 45 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835627} normal block at 0x000001D8B22C6730, 48 bytes long.
Data: <TMP=X:\BOINC_DAT> 54 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835616} normal block at 0x000001D8B22C6570, 48 bytes long.
Data: <TEMP=X:\BOINC_DA> 54 45 4D 50 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835605} normal block at 0x000001D8B22C6C70, 48 bytes long.
Data: <TMPDIR=X:\BOINC_> 54 4D 50 44 49 52 3D 58 3A 5C 42 4F 49 4E 43 5F
{3835574} normal block at 0x000001D8B3F896E0, 64 bytes long.
Data: <PATH=X:\BOINC_DA> 50 41 54 48 3D 58 3A 5C 42 4F 49 4E 43 5F 44 41
{3835563} normal block at 0x000001D8B3F9AD40, 195 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) : {3835560} normal block at 0x000001D8B22BED00, 8 bytes long.
Data: < $²Ø > 00 00 24 B2 D8 01 00 00
{3834733} normal block at 0x000001D8B3F9B440, 195 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000001D8B22BF0C0, 8 bytes long.
Data: < Y ´Ø > 00 59 01 B4 D8 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D8B22B3850, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D8B22B0910, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x000001D8B22C79B0, 16 bytes long.
Data: <h ,²Ø > 68 80 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D8B22C75A0, 16 bytes long.
Data: <@ ,²Ø > 40 80 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D8B22C0EC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x000001D8B22C7780, 16 bytes long.
Data: < ,²Ø > 18 80 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D8B22C7960, 16 bytes long.
Data: <ð ,²Ø > F0 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D8B22C7730, 16 bytes long.
Data: <È ,²Ø > C8 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D8B22C72D0, 16 bytes long.
Data: <  ,²Ø > A0 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D8B22C6960, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x000001D8B22C7C80, 16 bytes long.
Data: < 2+²Ø > 18 32 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D8B22C1A60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x000001D8B22C71E0, 16 bytes long.
Data: <ð1+²Ø > F0 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D8B22C77D0, 16 bytes long.
Data: <È1+²Ø > C8 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D8B22C76E0, 16 bytes long.
Data: < 1+²Ø > A0 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D8B22C7690, 16 bytes long.
Data: <x1+²Ø > 78 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D8B22C7550, 16 bytes long.
Data: <P1+²Ø > 50 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D8B22C7280, 16 bytes long.
Data: <(1+²Ø > 28 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001D8B22C1700, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x000001D8B22C6DD0, 16 bytes long.
Data: < 1+²Ø > 00 31 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D8B22B3100, 320 bytes long.
Data: <Ðm,²Ø ,²Ø > D0 6D 2C B2 D8 01 00 00 00 17 2C B2 D8 01 00 00
{273} normal block at 0x000001D8B22C7C30, 16 bytes long.
Data: < ,²Ø > 80 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D8B22C7A50, 16 bytes long.
Data: <X ,²Ø > 58 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D8B22C1460, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x000001D8B22C7640, 16 bytes long.
Data: <0 ,²Ø > 30 7F 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D8B22C1220, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x000001D8B22C7820, 16 bytes long.
Data: <x~,²Ø > 78 7E 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D8B22C7AF0, 16 bytes long.
Data: <P~,²Ø > 50 7E 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D8B22C75F0, 16 bytes long.
Data: <(~,²Ø > 28 7E 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D8B22C7320, 16 bytes long.
Data: < ~,²Ø > 00 7E 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D8B22C7910, 16 bytes long.
Data: <Ø},²Ø > D8 7D 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D8B22C7190, 16 bytes long.
Data: <°},²Ø > B0 7D 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D8B22C7140, 16 bytes long.
Data: <Pf,²Ø > 50 66 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001D8B22C6650, 40 bytes long.
Data: <@q,²Ø à–ø³Ø > 40 71 2C B2 D8 01 00 00 E0 96 F8 B3 D8 01 00 00
{259} normal block at 0x000001D8B22C70A0, 16 bytes long.
Data: < },²Ø > 90 7D 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D8B22C7460, 16 bytes long.
Data: <h},²Ø > 68 7D 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001D8B22C1520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x000001D8B22C6D80, 16 bytes long.
Data: <@},²Ø > 40 7D 2C B2 D8 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001D8B22C7D40, 992 bytes long.
Data: < m,²Ø ,²Ø > 80 6D 2C B2 D8 01 00 00 20 15 2C B2 D8 01 00 00
{91} normal block at 0x000001D8B22C13A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x000001D8B22BEC10, 16 bytes long.
Data: < +²Ø > 10 1B 2B B2 D8 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000001D8B22B1B10, 40 bytes long.
Data: < ì+²Ø   ,²Ø > 10 EC 2B B2 D8 01 00 00 A0 13 2C B2 D8 01 00 00
{68} normal block at 0x000001D8B22BF750, 16 bytes long.
Data: < ê´ ÷ > 80 EA B4 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D8B22BF8E0, 16 bytes long.
Data: <@é´ ÷ > 40 E9 B4 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D8B22BF700, 16 bytes long.
Data: <øW± ÷ > F8 57 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D8B22BEBC0, 16 bytes long.
Data: <ØW± ÷ > D8 57 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D8B22BEE40, 16 bytes long.
Data: <P ± ÷ > 50 04 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D8B22BF570, 16 bytes long.
Data: <0 ± ÷ > 30 04 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D8B22BEC60, 16 bytes long.
Data: <à ± ÷ > E0 02 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D8B22BF6B0, 16 bytes long.
Data: < ± ÷ > 10 04 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D8B22BECB0, 16 bytes long.
Data: <p ± ÷ > 70 04 B1 05 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001D8B22BED50, 16 bytes long.
Data: < À¯ ÷ > 18 C0 AF 05 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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