Task 38582098
| Name | HIF2A_A18_A07_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND4292_0 |
| Workunit | 31546465 |
| Created | 12 Dec 2025, 21:00:34 UTC |
| Sent | 12 Dec 2025, 21:00:45 UTC |
| Report deadline | 17 Dec 2025, 21:00:45 UTC |
| Received | 12 Dec 2025, 23:57:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642350 |
| Run time | 2 hours 49 min 21 sec |
| CPU time | 2 hours 49 min 21 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,414.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 481.54 MB |
| Peak swap size | 9.49 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:07:01 (61564): wrapper (7.9.26016): starting
15:07:01 (61564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A07_0.pdb
QB_A18_A07_0.xml
QB_A18_A07_equil.pdb
QB_A18_A07.inpcrd
QB_A18_A07_input.yaml
QB_A18_A07_mdlambda.pdb
QB_A18_A07_min.pdb
QB_A18_A07_npt.pdb
QB_A18_A07.pdb
QB_A18_A07.prmtop
QB_A18_A07_sys.xml
QB_A18_A07_therm.pdb
run.bat
run.sh
15:07:02 (61564): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:07:02 (61564): 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
17:57:28 (61564): C:/Windows/system32/cmd.exe exited; CPU time 10161.046875
17:57:28 (61564): 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: 238626989 bytes.
Dumping objects ->
{3835235} normal block at 0x000001A7B7BFFEB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835224} normal block at 0x000001A7B7C00150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x000001A7B7BFFB30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835202} normal block at 0x000001A7B7BFF4A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835191} normal block at 0x000001A7B7BFFE40, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835160} normal block at 0x000001A7B7BF1D60, 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) : {3835147} normal block at 0x000001A7B7BFD520, 8 bytes long.
Data: < µ·§ > 00 00 B5 B7 A7 01 00 00
{3833959} normal block at 0x000001A7B7BFE330, 8 bytes long.
Data: < ËŒ¹§ > 90 CB 8C B9 A7 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001A7B7BCFAA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001A7B7BD7580, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001A7B7BFE100, 16 bytes long.
Data: < °¾·§ > 08 B0 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001A7B7BFE1A0, 16 bytes long.
Data: <௾·§ > E0 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001A7B7C005C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001A7B7BFE0B0, 16 bytes long.
Data: <¸¯¾·§ > B8 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001A7B7BFDED0, 16 bytes long.
Data: < ¯¾·§ > 90 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001A7B7BFDE80, 16 bytes long.
Data: <h¯¾·§ > 68 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001A7B7BFDE30, 16 bytes long.
Data: <@¯¾·§ > 40 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001A7B7BFFA50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001A7B7BFDDE0, 16 bytes long.
Data: < š¾·§ > 18 9A BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001A7B7C00500, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001A7B7BFDB60, 16 bytes long.
Data: <ð ¾·§ > F0 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001A7B7BFDA20, 16 bytes long.
Data: <È ¾·§ > C8 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001A7B7BFE290, 16 bytes long.
Data: <  ¾·§ > A0 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001A7B7BFD570, 16 bytes long.
Data: <x ¾·§ > 78 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001A7B7BFD8E0, 16 bytes long.
Data: <P ¾·§ > 50 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001A7B7BFD430, 16 bytes long.
Data: <( ¾·§ > 28 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001A7B7C00B60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001A7B7BFD890, 16 bytes long.
Data: < ¾·§ > 00 99 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001A7B7BE9900, 320 bytes long.
Data: < Ø¿·§ ` À·§ > 90 D8 BF B7 A7 01 00 00 60 0B C0 B7 A7 01 00 00
{275} normal block at 0x000001A7B7BFDD40, 16 bytes long.
Data: < ¯¾·§ > 20 AF BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001A7B7BFD3E0, 16 bytes long.
Data: <ø®¾·§ > F8 AE BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001A7B7C00E00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001A7B7BFDAC0, 16 bytes long.
Data: <Ю¾·§ > D0 AE BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001A7B7C00920, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001A7B7BFE060, 16 bytes long.
Data: < ®¾·§ > 18 AE BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001A7B7BFDA70, 16 bytes long.
Data: <ð­¾·§ > F0 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001A7B7BFD4D0, 16 bytes long.
Data: <È­¾·§ > C8 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001A7B7BFDCF0, 16 bytes long.
Data: < ­¾·§ > A0 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001A7B7BFD840, 16 bytes long.
Data: <x­¾·§ > 78 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001A7B7BFDBB0, 16 bytes long.
Data: <P­¾·§ > 50 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001A7B7BFE010, 16 bytes long.
Data: < À·§ > 00 00 C0 B7 A7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001A7B7C00000, 40 bytes long.
Data: < à¿·§ ` ¿·§ > 10 E0 BF B7 A7 01 00 00 60 1D BF B7 A7 01 00 00
{261} normal block at 0x000001A7B7BFD9D0, 16 bytes long.
Data: <0­¾·§ > 30 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001A7B7BFD7A0, 16 bytes long.
Data: < ­¾·§ > 08 AD BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001A7B7BE2290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001A7B7BFD750, 16 bytes long.
Data: <ା·§ > E0 AC BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001A7B7BEACE0, 992 bytes long.
Data: <P׿·§ "¾·§ > 50 D7 BF B7 A7 01 00 00 90 22 BE B7 A7 01 00 00
{93} normal block at 0x000001A7B7BE1B70, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001A7B7BFDC00, 16 bytes long.
Data: <À¦¾·§ > C0 A6 BE B7 A7 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001A7B7BEA6C0, 40 bytes long.
Data: < Ü¿·§ p ¾·§ > 00 DC BF B7 A7 01 00 00 70 1B BE B7 A7 01 00 00
{70} normal block at 0x000001A7B7BE6300, 16 bytes long.
Data: < ê-Íö > 80 EA 2D CD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001A7B7BE62B0, 16 bytes long.
Data: <@é-Íö > 40 E9 2D CD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001A7B7BE6260, 16 bytes long.
Data: <øW*Íö > F8 57 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001A7B7BE5F90, 16 bytes long.
Data: <ØW*Íö > D8 57 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001A7B7BE6210, 16 bytes long.
Data: <P *Íö > 50 04 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001A7B7BE5EA0, 16 bytes long.
Data: <0 *Íö > 30 04 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001A7B7BE61C0, 16 bytes long.
Data: <à *Íö > E0 02 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001A7B7BE5E50, 16 bytes long.
Data: < *Íö > 10 04 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001A7B7BE5D10, 16 bytes long.
Data: <p *Íö > 70 04 2A CD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001A7B7BE5CC0, 16 bytes long.
Data: < À(Íö > 18 C0 28 CD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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