Task 38614468
| Name | HIF2A_2_A17_A25_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-0-6-RND0111_0 |
| Workunit | 31566832 |
| Created | 17 Apr 2026, 13:37:56 UTC |
| Sent | 17 Apr 2026, 13:38:01 UTC |
| Report deadline | 22 Apr 2026, 13:38:01 UTC |
| Received | 17 Apr 2026, 16:21:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 541853 |
| Run time | 2 hours 43 min 26 sec |
| CPU time | 2 hours 37 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 16,934.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 409.79 MB |
| Peak swap size | 3.49 GB |
| Peak disk usage | 2.87 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:39:35 (38960): wrapper (7.9.26016): starting
15:39:35 (38960): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A17_A25_0.pdb
QB_A17_A25_0.xml
QB_A17_A25.inpcrd
QB_A17_A25_input.yaml
QB_A17_A25.pdb
QB_A17_A25.prmtop
QB_A17_A25_sys.xml
run.bat
run.sh
15:39:37 (38960): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:39:37 (38960): 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 'D:\ProgramData\BOINC\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 'D:\ProgramData\BOINC\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
18:21:37 (38960): C:/Windows/system32/cmd.exe exited; CPU time 9420.671875
18:21:37 (38960): 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: 223359073 bytes.
Dumping objects ->
{3835489} normal block at 0x000001E83DB87600, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835478} normal block at 0x000001E83DB87A60, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x000001E83DB87DE0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835456} normal block at 0x000001E83DB87830, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835445} normal block at 0x000001E83DB873D0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835414} normal block at 0x000001E83DB8A180, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835401} normal block at 0x000001E83DB63F30, 8 bytes long.
Data: < ±=è > 00 00 B1 3D E8 01 00 00
{3833967} normal block at 0x000001E83DB63E90, 8 bytes long.
Data: < K ?è > 10 4B 80 3F E8 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001E83DB65150, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001E83DB63980, 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 0x000001E83DB64520, 16 bytes long.
Data: < O¶=è > 18 4F B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001E83DB63AD0, 16 bytes long.
Data: <ðN¶=è > F0 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E83DB5BC40, 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 0x000001E83DB64160, 16 bytes long.
Data: <ÈN¶=è > C8 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E83DB63A80, 16 bytes long.
Data: < N¶=è > A0 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E83DB64430, 16 bytes long.
Data: <xN¶=è > 78 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E83DB63DA0, 16 bytes long.
Data: <PN¶=è > 50 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E83DB5CFC0, 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 0x000001E83DB63C60, 16 bytes long.
Data: < 9¶=è > 18 39 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E83DB5BD60, 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 0x000001E83DB64930, 16 bytes long.
Data: <ð8¶=è > F0 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E83DB647F0, 16 bytes long.
Data: <È8¶=è > C8 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E83DB63E40, 16 bytes long.
Data: < 8¶=è > A0 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E83DB64110, 16 bytes long.
Data: <x8¶=è > 78 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E83DB648E0, 16 bytes long.
Data: <P8¶=è > 50 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E83DB64020, 16 bytes long.
Data: <(8¶=è > 28 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E83DB5BEE0, 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 0x000001E83DB63B70, 16 bytes long.
Data: < 8¶=è > 00 38 B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E83DB63800, 320 bytes long.
Data: <p;¶=è ྵ=è > 70 3B B6 3D E8 01 00 00 E0 BE B5 3D E8 01 00 00
{279} normal block at 0x000001E83DB644D0, 16 bytes long.
Data: <0N¶=è > 30 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E83DB63FD0, 16 bytes long.
Data: < N¶=è > 08 4E B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E83DB5C3C0, 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 0x000001E83DB640C0, 16 bytes long.
Data: <àM¶=è > E0 4D B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E83DB5C060, 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 0x000001E83DB63CB0, 16 bytes long.
Data: <(M¶=è > 28 4D B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E83DB63C10, 16 bytes long.
Data: < M¶=è > 00 4D B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E83DB64890, 16 bytes long.
Data: <ØL¶=è > D8 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E83DB643E0, 16 bytes long.
Data: <°L¶=è > B0 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E83DB63F80, 16 bytes long.
Data: < L¶=è > 88 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E83DB64840, 16 bytes long.
Data: <`L¶=è > 60 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E83DB64390, 16 bytes long.
Data: < ʵ=è > 80 CA B5 3D E8 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E83DB5CA80, 40 bytes long.
Data: < C¶=è ¡¸=è > 90 43 B6 3D E8 01 00 00 80 A1 B8 3D E8 01 00 00
{265} normal block at 0x000001E83DB642F0, 16 bytes long.
Data: <@L¶=è > 40 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E83DB64340, 16 bytes long.
Data: < L¶=è > 18 4C B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E83DB5BBE0, 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 0x000001E83DB63EE0, 16 bytes long.
Data: <ðK¶=è > F0 4B B6 3D E8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E83DB64BF0, 992 bytes long.
Data: <à>¶=è ໵=è > E0 3E B6 3D E8 01 00 00 E0 BB B5 3D E8 01 00 00
{97} normal block at 0x000001E83DB5C240, 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 0x000001E83DB56CC0, 16 bytes long.
Data: < ͵=è > 20 CD B5 3D E8 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001E83DB5CD20, 40 bytes long.
Data: <Àlµ=è @µ=è > C0 6C B5 3D E8 01 00 00 40 C2 B5 3D E8 01 00 00
{74} normal block at 0x000001E83DB57350, 16 bytes long.
Data: < êb²÷ > 80 EA 62 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001E83DB57A80, 16 bytes long.
Data: <@éb²÷ > 40 E9 62 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001E83DB57300, 16 bytes long.
Data: <øW_²÷ > F8 57 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001E83DB576C0, 16 bytes long.
Data: <ØW_²÷ > D8 57 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E83DB579E0, 16 bytes long.
Data: <P _²÷ > 50 04 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E83DB57990, 16 bytes long.
Data: <0 _²÷ > 30 04 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E83DB57620, 16 bytes long.
Data: <à _²÷ > E0 02 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E83DB56EF0, 16 bytes long.
Data: < _²÷ > 10 04 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E83DB574E0, 16 bytes long.
Data: <p _²÷ > 70 04 5F B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E83DB56C70, 16 bytes long.
Data: < À]²÷ > 18 C0 5D B2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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