Task 38618422
| Name | HIF2A_2_A29_A11_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND0829_0 |
| Workunit | 31569920 |
| Created | 18 Apr 2026, 12:39:49 UTC |
| Sent | 18 Apr 2026, 12:39:58 UTC |
| Report deadline | 23 Apr 2026, 12:39:58 UTC |
| Received | 18 Apr 2026, 14:38:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627914 |
| Run time | 1 hours 50 min 28 sec |
| CPU time | 1 hours 50 min 28 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 84,059.67 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 491.14 MB |
| Peak swap size | 12.75 GB |
| Peak disk usage | 4.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:50:56 (42640): wrapper (7.9.26016): starting
08:50:56 (42640): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A29_A11_0.pdb
QB_A29_A11_0.xml
QB_A29_A11.inpcrd
QB_A29_A11_input.yaml
QB_A29_A11.pdb
QB_A29_A11.prmtop
QB_A29_A11_sys.xml
run.bat
run.sh
08:50:57 (42640): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:50:57 (42640): 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\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 'C:\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
10:38:00 (42640): C:/Windows/system32/cmd.exe exited; CPU time 6628.000000
10:38:00 (42640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 135505205 bytes.
Dumping objects ->
{3835617} normal block at 0x0000027D8E825480, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835606} normal block at 0x0000027D8CAB5250, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835595} normal block at 0x0000027D8CAB5100, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835584} normal block at 0x0000027D8CAB5020, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835573} normal block at 0x0000027D8CAB5090, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835542} normal block at 0x0000027D8E7C8A90, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835531} normal block at 0x0000027D8E7DF2C0, 102 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) : {3835528} normal block at 0x0000027D8CAAD850, 8 bytes long.
Data: < ¥Œ} > 00 00 A5 8C 7D 02 00 00
{3834723} normal block at 0x0000027D8E7DE920, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x0000027D8CAADBC0, 8 bytes long.
Data: <pk…Ž} > 70 6B 85 8E 7D 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000027D8CAA0FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000027D8CAA28C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x0000027D8CAB6290, 16 bytes long.
Data: <Xm«Œ} > 58 6D AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027D8CAB5B60, 16 bytes long.
Data: <0m«Œ} > 30 6D AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000027D8CAAFA70, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x0000027D8CAB6330, 16 bytes long.
Data: < m«Œ} > 08 6D AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027D8CAB5F70, 16 bytes long.
Data: <àl«Œ} > E0 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000027D8CAB5F20, 16 bytes long.
Data: <¸l«Œ} > B8 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027D8CAB6790, 16 bytes long.
Data: < l«Œ} > 90 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027D8CAB5170, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x0000027D8CAB6060, 16 bytes long.
Data: < ô©Œ} > 88 F4 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027D8CAAFA10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x0000027D8CAB5B10, 16 bytes long.
Data: <`ô©Œ} > 60 F4 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027D8CAB69C0, 16 bytes long.
Data: <8ô©Œ} > 38 F4 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000027D8CAB5ED0, 16 bytes long.
Data: < ô©Œ} > 10 F4 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027D8CAB5E30, 16 bytes long.
Data: <èó©Œ} > E8 F3 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027D8CAB5DE0, 16 bytes long.
Data: <Àó©Œ} > C0 F3 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027D8CAB6510, 16 bytes long.
Data: < ó©Œ} > 98 F3 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027D8CAAF950, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x0000027D8CAB5D90, 16 bytes long.
Data: <pó©Œ} > 70 F3 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027D8CA9F370, 320 bytes long.
Data: < ]«Œ} PùªŒ} > 90 5D AB 8C 7D 02 00 00 50 F9 AA 8C 7D 02 00 00
{278} normal block at 0x0000027D8CAB6740, 16 bytes long.
Data: <pl«Œ} > 70 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027D8CAB62E0, 16 bytes long.
Data: <Hl«Œ} > 48 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027D8CAAF890, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x0000027D8CAB63D0, 16 bytes long.
Data: < l«Œ} > 20 6C AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027D8CAAFFB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x0000027D8CAB5AC0, 16 bytes long.
Data: <hk«Œ} > 68 6B AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027D8CAB6010, 16 bytes long.
Data: <@k«Œ} > 40 6B AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027D8CAB5C50, 16 bytes long.
Data: < k«Œ} > 18 6B AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027D8CAB68D0, 16 bytes long.
Data: <ðj«Œ} > F0 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027D8CAB6970, 16 bytes long.
Data: <Èj«Œ} > C8 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027D8CAB5D40, 16 bytes long.
Data: < j«Œ} > A0 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027D8CAB6100, 16 bytes long.
Data: < T«Œ} > 10 54 AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027D8CAB5410, 40 bytes long.
Data: < a«Œ} Š|Ž} > 00 61 AB 8C 7D 02 00 00 90 8A 7C 8E 7D 02 00 00
{264} normal block at 0x0000027D8CAB5C00, 16 bytes long.
Data: < j«Œ} > 80 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027D8CAB61F0, 16 bytes long.
Data: <Xj«Œ} > 58 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000027D8CAAFCB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x0000027D8CAB66F0, 16 bytes long.
Data: <0j«Œ} > 30 6A AB 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027D8CAB6A30, 992 bytes long.
Data: <ðf«Œ} °üªŒ} > F0 66 AB 8C 7D 02 00 00 B0 FC AA 8C 7D 02 00 00
{96} normal block at 0x0000027D8CAAF770, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x0000027D8CAADB70, 16 bytes long.
Data: < ð©Œ} > 00 F0 A9 8C 7D 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000027D8CA9F000, 40 bytes long.
Data: <pÛªŒ} p÷ªŒ} > 70 DB AA 8C 7D 02 00 00 70 F7 AA 8C 7D 02 00 00
{73} normal block at 0x0000027D8CAAD7B0, 16 bytes long.
Data: < êZhö > 80 EA 5A 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000027D8CAAE200, 16 bytes long.
Data: <@éZhö > 40 E9 5A 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000027D8CAAE250, 16 bytes long.
Data: <øWWhö > F8 57 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000027D8CAADB20, 16 bytes long.
Data: <ØWWhö > D8 57 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000027D8CAAE0C0, 16 bytes long.
Data: <P Whö > 50 04 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027D8CAAE020, 16 bytes long.
Data: <0 Whö > 30 04 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027D8CAAD760, 16 bytes long.
Data: <à Whö > E0 02 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027D8CAADC60, 16 bytes long.
Data: < Whö > 10 04 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027D8CAAD6C0, 16 bytes long.
Data: <p Whö > 70 04 57 68 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027D8CAAD670, 16 bytes long.
Data: < ÀUhö > 18 C0 55 68 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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