Task 38581364
| Name | HIF2A_A14_A20_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND1187_0 |
| Workunit | 31545889 |
| Created | 12 Dec 2025, 10:45:54 UTC |
| Sent | 12 Dec 2025, 10:46:25 UTC |
| Report deadline | 17 Dec 2025, 10:46:25 UTC |
| Received | 14 Dec 2025, 1:13:03 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637829 |
| Run time | 20 hours 56 min 23 sec |
| CPU time | 20 hours 55 min 9 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 9,257.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 510.32 MB |
| Peak swap size | 18.54 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
23:17:52 (8444): wrapper (7.9.26016): starting
23:17:52 (8444): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A20_0.pdb
QB_A14_A20_0.xml
QB_A14_A20_equil.pdb
QB_A14_A20.inpcrd
QB_A14_A20_input.yaml
QB_A14_A20_mdlambda.pdb
QB_A14_A20_min.pdb
QB_A14_A20_npt.pdb
QB_A14_A20.pdb
QB_A14_A20.prmtop
QB_A14_A20_sys.xml
QB_A14_A20_therm.pdb
run.bat
run.sh
23:17:54 (8444): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:17:54 (8444): 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\47\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\47\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
20:12:21 (8444): C:/Windows/system32/cmd.exe exited; CPU time 75309.000000
20:12:21 (8444): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 1235438423 bytes.
Dumping objects ->
{3835554} normal block at 0x00000256BD3D6630, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835543} normal block at 0x00000256BD3D62B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835532} normal block at 0x00000256BD3D6780, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835521} normal block at 0x00000256BD3D6550, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835510} normal block at 0x00000256BD3D64E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835479} normal block at 0x00000256BF2A6040, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x00000256BD42D1F0, 139 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) : {3835465} normal block at 0x00000256BD3CDA20, 8 bytes long.
Data: < ‰½V > 00 00 89 BD 56 02 00 00
{3834685} normal block at 0x00000256BD42D6D0, 139 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x00000256BD3CDDE0, 8 bytes long.
Data: < ×;½V > 10 D7 3B BD 56 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000256BD3C0C40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000256BD3C1FE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000256BD3D54D0, 16 bytes long.
Data: <ha=½V > 68 61 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000256BD3D4B20, 16 bytes long.
Data: <@a=½V > 40 61 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000256BD3D1530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000256BD3D5200, 16 bytes long.
Data: < a=½V > 18 61 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000256BD3D5570, 16 bytes long.
Data: <ð`=½V > F0 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000256BD3D4F80, 16 bytes long.
Data: <È`=½V > C8 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000256BD3D5480, 16 bytes long.
Data: < `=½V > A0 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000256BD3D6390, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000256BD3D5390, 16 bytes long.
Data: <H <½V > 48 07 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000256BD3D1230, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000256BD3D4A80, 16 bytes long.
Data: < <½V > 20 07 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000256BD3D4AD0, 16 bytes long.
Data: <ø <½V > F8 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000256BD3D5700, 16 bytes long.
Data: <Ð <½V > D0 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000256BD3D4EE0, 16 bytes long.
Data: <¨ <½V > A8 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000256BD3D4DA0, 16 bytes long.
Data: < <½V > 80 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000256BD3D5980, 16 bytes long.
Data: <X <½V > 58 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000256BD3D0AB0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000256BD3D50C0, 16 bytes long.
Data: <0 <½V > 30 06 3C BD 56 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000256BD3C0630, 320 bytes long.
Data: <ÀP=½V ° =½V > C0 50 3D BD 56 02 00 00 B0 0A 3D BD 56 02 00 00
{272} normal block at 0x00000256BD3D59D0, 16 bytes long.
Data: < `=½V > 80 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000256BD3D5430, 16 bytes long.
Data: <X`=½V > 58 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000256BD3D1410, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000256BD3D4D50, 16 bytes long.
Data: <0`=½V > 30 60 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000256BD3D14D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000256BD3D4C60, 16 bytes long.
Data: <x_=½V > 78 5F 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000256BD3D55C0, 16 bytes long.
Data: <P_=½V > 50 5F 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000256BD3D4E90, 16 bytes long.
Data: <(_=½V > 28 5F 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000256BD3D4BC0, 16 bytes long.
Data: < _=½V > 00 5F 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000256BD3D53E0, 16 bytes long.
Data: <Ø^=½V > D8 5E 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000256BD3D51B0, 16 bytes long.
Data: <°^=½V > B0 5E 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000256BD3D4D00, 16 bytes long.
Data: < Æ;½V > 80 C6 3B BD 56 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000256BD3BC680, 40 bytes long.
Data: < M=½V @`*¿V > 00 4D 3D BD 56 02 00 00 40 60 2A BF 56 02 00 00
{258} normal block at 0x00000256BD3D5340, 16 bytes long.
Data: < ^=½V > 90 5E 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000256BD3D4FD0, 16 bytes long.
Data: <h^=½V > 68 5E 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000256BD3D1470, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000256BD3D5160, 16 bytes long.
Data: <@^=½V > 40 5E 3D BD 56 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000256BD3D5E40, 992 bytes long.
Data: <`Q=½V p =½V > 60 51 3D BD 56 02 00 00 70 14 3D BD 56 02 00 00
{90} normal block at 0x00000256BD3D12F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000256BD3CD570, 16 bytes long.
Data: <ÐÛ;½V > D0 DB 3B BD 56 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000256BD3BDBD0, 40 bytes long.
Data: <pÕ<½V ð =½V > 70 D5 3C BD 56 02 00 00 F0 12 3D BD 56 02 00 00
{67} normal block at 0x00000256BD3CDD40, 16 bytes long.
Data: < êŽûö > 80 EA 8E FB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000256BD3CD520, 16 bytes long.
Data: <@éŽûö > 40 E9 8E FB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000256BD3CD340, 16 bytes long.
Data: <øW‹ûö > F8 57 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000256BD3CD5C0, 16 bytes long.
Data: <ØW‹ûö > D8 57 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000256BD3CDB10, 16 bytes long.
Data: <P ‹ûö > 50 04 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000256BD3CDF20, 16 bytes long.
Data: <0 ‹ûö > 30 04 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000256BD3CD610, 16 bytes long.
Data: <à ‹ûö > E0 02 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000256BD3CDCA0, 16 bytes long.
Data: < ‹ûö > 10 04 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000256BD3CD930, 16 bytes long.
Data: <p ‹ûö > 70 04 8B FB F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000256BD3CD480, 16 bytes long.
Data: < À‰ûö > 18 C0 89 FB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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