Task 38582505
| Name | HIF2A_A39_A28_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-3-5-RND9236_0 |
| Workunit | 31546812 |
| Created | 13 Dec 2025, 6:17:54 UTC |
| Sent | 13 Dec 2025, 6:18:04 UTC |
| Report deadline | 18 Dec 2025, 6:18:04 UTC |
| Received | 13 Dec 2025, 10:24:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 647854 |
| Run time | 3 hours 30 min 33 sec |
| CPU time | 3 hours 30 min 33 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 12,744.01 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 426.81 MB |
| Peak swap size | 2.70 GB |
| Peak disk usage | 2.96 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:23:02 (13444): wrapper (7.9.26016): starting
01:23:02 (13444): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A28_0.pdb
QB_A39_A28_0.xml
QB_A39_A28_equil.pdb
QB_A39_A28.inpcrd
QB_A39_A28_input.yaml
QB_A39_A28_mdlambda.pdb
QB_A39_A28_min.pdb
QB_A39_A28_npt.pdb
QB_A39_A28.pdb
QB_A39_A28.prmtop
QB_A39_A28_sys.xml
QB_A39_A28_therm.pdb
run.bat
run.sh
01:23:03 (13444): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:23:03 (13444): 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\2\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\2\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
05:23:37 (13444): C:/Windows/system32/cmd.exe exited; CPU time 12633.140625
05:23:37 (13444): 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: 251427923 bytes.
Dumping objects ->
{3835248} normal block at 0x00000204F18953B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x00000204F1895490, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x00000204F1895030, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x00000204F1894FC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x00000204F1894F50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x00000204F34D9690, 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) : {3835160} normal block at 0x00000204F188E7F0, 8 bytes long.
Data: < Ññ > 00 00 D1 F1 04 02 00 00
{3833953} normal block at 0x00000204F188E430, 8 bytes long.
Data: <ÐÕ‡ñ > D0 D5 87 F1 04 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000204F1880B10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000204F1881BE0, 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 0x00000204F1895E40, 16 bytes long.
Data: <Hj‰ñ > 48 6A 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000204F18958A0, 16 bytes long.
Data: < j‰ñ > 20 6A 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000204F1891E10, 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 0x00000204F1896070, 16 bytes long.
Data: <øi‰ñ > F8 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000204F1896110, 16 bytes long.
Data: <Ði‰ñ > D0 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000204F1895DF0, 16 bytes long.
Data: <¨i‰ñ > A8 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000204F1895B70, 16 bytes long.
Data: < i‰ñ > 80 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000204F18955E0, 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 0x00000204F18958F0, 16 bytes long.
Data: <Ø ‰ñ > D8 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000204F1891AB0, 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 0x00000204F18966B0, 16 bytes long.
Data: <° ‰ñ > B0 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000204F1896660, 16 bytes long.
Data: < ‰ñ > 88 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000204F1896020, 16 bytes long.
Data: <` ‰ñ > 60 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000204F1896250, 16 bytes long.
Data: <8 ‰ñ > 38 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000204F1896610, 16 bytes long.
Data: < ‰ñ > 10 16 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000204F18964D0, 16 bytes long.
Data: <è ‰ñ > E8 15 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000204F1891B70, 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 0x00000204F18965C0, 16 bytes long.
Data: <À ‰ñ > C0 15 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000204F18915C0, 320 bytes long.
Data: <Àe‰ñ p ‰ñ > C0 65 89 F1 04 02 00 00 70 1B 89 F1 04 02 00 00
{272} normal block at 0x00000204F1896480, 16 bytes long.
Data: <`i‰ñ > 60 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000204F1896570, 16 bytes long.
Data: <8i‰ñ > 38 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000204F18920B0, 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 0x00000204F1896390, 16 bytes long.
Data: < i‰ñ > 10 69 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000204F1891A50, 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 0x00000204F18963E0, 16 bytes long.
Data: <Xh‰ñ > 58 68 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000204F1895F30, 16 bytes long.
Data: <0h‰ñ > 30 68 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000204F1896200, 16 bytes long.
Data: < h‰ñ > 08 68 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000204F1896160, 16 bytes long.
Data: <àg‰ñ > E0 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000204F1896340, 16 bytes long.
Data: <¸g‰ñ > B8 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000204F1895D50, 16 bytes long.
Data: < g‰ñ > 90 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000204F18957B0, 16 bytes long.
Data: <pU‰ñ > 70 55 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000204F1895570, 40 bytes long.
Data: <°W‰ñ –Mó > B0 57 89 F1 04 02 00 00 90 96 4D F3 04 02 00 00
{258} normal block at 0x00000204F1895990, 16 bytes long.
Data: <pg‰ñ > 70 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000204F1895C60, 16 bytes long.
Data: <Hg‰ñ > 48 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000204F1891B10, 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 0x00000204F1895940, 16 bytes long.
Data: < g‰ñ > 20 67 89 F1 04 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000204F1896720, 992 bytes long.
Data: <@Y‰ñ ‰ñ > 40 59 89 F1 04 02 00 00 10 1B 89 F1 04 02 00 00
{90} normal block at 0x00000204F1891CF0, 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 0x00000204F188E890, 16 bytes long.
Data: <Pý‡ñ > 50 FD 87 F1 04 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000204F187FD50, 40 bytes long.
Data: < è ñ ð ‰ñ > 90 E8 88 F1 04 02 00 00 F0 1C 89 F1 04 02 00 00
{67} normal block at 0x00000204F188E390, 16 bytes long.
Data: < êaý÷ > 80 EA 61 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000204F188E340, 16 bytes long.
Data: <@éaý÷ > 40 E9 61 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000204F188E570, 16 bytes long.
Data: <øW^ý÷ > F8 57 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000204F188ED90, 16 bytes long.
Data: <ØW^ý÷ > D8 57 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000204F188E610, 16 bytes long.
Data: <P ^ý÷ > 50 04 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000204F188E750, 16 bytes long.
Data: <0 ^ý÷ > 30 04 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000204F188E1B0, 16 bytes long.
Data: <à ^ý÷ > E0 02 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000204F188E4D0, 16 bytes long.
Data: < ^ý÷ > 10 04 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000204F188E660, 16 bytes long.
Data: <p ^ý÷ > 70 04 5E FD F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000204F188E9D0, 16 bytes long.
Data: < À\ý÷ > 18 C0 5C FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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