Task 38622833
| Name | HIF2A_2_A32_A17_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND1485_0 |
| Workunit | 31573538 |
| Created | 21 Apr 2026, 0:08:16 UTC |
| Sent | 21 Apr 2026, 0:08:19 UTC |
| Report deadline | 26 Apr 2026, 0:08:19 UTC |
| Received | 21 Apr 2026, 9:05:41 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609955 |
| Run time | 2 hours 19 min 19 sec |
| CPU time | 2 hours 9 min 54 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 22,593.40 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 497.21 MB |
| Peak swap size | 9.54 GB |
| Peak disk usage | 4.04 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:48:39 (31008): wrapper (7.9.26016): starting
15:48:39 (31008): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A17_0.pdb
QB_A32_A17_0.xml
QB_A32_A17.inpcrd
QB_A32_A17_input.yaml
QB_A32_A17.pdb
QB_A32_A17.prmtop
QB_A32_A17_sys.xml
run.bat
run.sh
15:48:40 (31008): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:48:40 (31008): 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:\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:\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
18:03:53 (31008): C:/Windows/system32/cmd.exe exited; CPU time 7794.062500
18:03:53 (31008): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 127367569 bytes.
Dumping objects ->
{3835582} normal block at 0x000002B1E4B65CD0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835571} normal block at 0x000002B1E6C75C00, 32 bytes long.
Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835560} normal block at 0x000002B1E6C76BC0, 32 bytes long.
Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835549} normal block at 0x000002B1E6C75F60, 32 bytes long.
Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835538} normal block at 0x000002B1E6C76F80, 32 bytes long.
Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C
{3835507} normal block at 0x000002B1E4B658E0, 48 bytes long.
Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835496} normal block at 0x000002B1E4BCAED0, 140 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) : {3835493} normal block at 0x000002B1E4B5E5D0, 8 bytes long.
Data: < ­ ± > 00 00 AD E4 B1 02 00 00
{3834771} normal block at 0x000002B1E4BCA780, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834073} normal block at 0x000002B1E4B5E490, 8 bytes long.
Data: <° ´ ± > B0 E0 B4 E4 B1 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002B1E4B512C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002B1E4B52600, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000002B1E4B66C90, 16 bytes long.
Data: < v¶ ± > 18 76 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002B1E4B666F0, 16 bytes long.
Data: < u¶ ± > F0 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002B1E4B605C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000002B1E4B66BF0, 16 bytes long.
Data: <Èu¶ ± > C8 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002B1E4B66A10, 16 bytes long.
Data: < u¶ ± > A0 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002B1E4B669C0, 16 bytes long.
Data: <xu¶ ± > 78 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002B1E4B67140, 16 bytes long.
Data: <Pu¶ ± > 50 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002B1E4B65B10, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000002B1E4B66F60, 16 bytes long.
Data: <( µ ± > 28 1F B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002B1E4B607A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000002B1E4B66EC0, 16 bytes long.
Data: < µ ± > 00 1F B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002B1E4B66F10, 16 bytes long.
Data: <Ø µ ± > D8 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002B1E4B66880, 16 bytes long.
Data: <° µ ± > B0 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002B1E4B66970, 16 bytes long.
Data: < µ ± > 88 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002B1E4B66420, 16 bytes long.
Data: <` µ ± > 60 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002B1E4B666A0, 16 bytes long.
Data: <8 µ ± > 38 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002B1E4B60140, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000002B1E4B66B50, 16 bytes long.
Data: < µ ± > 10 1E B5 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002B1E4B51E10, 320 bytes long.
Data: <Pk¶ ± @ ¶ ± > 50 6B B6 E4 B1 02 00 00 40 01 B6 E4 B1 02 00 00
{280} normal block at 0x000002B1E4B66920, 16 bytes long.
Data: <0u¶ ± > 30 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002B1E4B66B00, 16 bytes long.
Data: < u¶ ± > 08 75 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002B1E4B604A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000002B1E4B66650, 16 bytes long.
Data: < t¶ ± > E0 74 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002B1E4B5FD80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000002B1E4B66470, 16 bytes long.
Data: <(t¶ ± > 28 74 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002B1E4B665B0, 16 bytes long.
Data: < t¶ ± > 00 74 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002B1E4B66C40, 16 bytes long.
Data: <Øs¶ ± > D8 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002B1E4B663D0, 16 bytes long.
Data: <°s¶ ± > B0 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002B1E4B66D80, 16 bytes long.
Data: < s¶ ± > 88 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002B1E4B66830, 16 bytes long.
Data: <`s¶ ± > 60 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002B1E4B66BA0, 16 bytes long.
Data: < Z¶ ± > A0 5A B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002B1E4B65AA0, 40 bytes long.
Data: < k¶ ± X¶ ± > A0 6B B6 E4 B1 02 00 00 E0 58 B6 E4 B1 02 00 00
{266} normal block at 0x000002B1E4B667E0, 16 bytes long.
Data: <@s¶ ± > 40 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002B1E4B66AB0, 16 bytes long.
Data: < s¶ ± > 18 73 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002B1E4B60980, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000002B1E4B66A60, 16 bytes long.
Data: < r¶ ± > F0 72 B6 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002B1E4B672F0, 992 bytes long.
Data: <`j¶ ± ¶ ± > 60 6A B6 E4 B1 02 00 00 80 09 B6 E4 B1 02 00 00
{98} normal block at 0x000002B1E4B608C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002B1E4B5DD10, 16 bytes long.
Data: < Ü´ ± > 10 DC B4 E4 B1 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002B1E4B4DC10, 40 bytes long.
Data: < ݵ ± À ¶ ± > 10 DD B5 E4 B1 02 00 00 C0 08 B6 E4 B1 02 00 00
{73} normal block at 0x000002B1E4B5DF40, 16 bytes long.
Data: < > 80 EA 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002B1E4B5E530, 16 bytes long.
Data: <@ > 40 E9 1E 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002B1E4B5DD60, 16 bytes long.
Data: < W > F8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002B1E4B5E3F0, 16 bytes long.
Data: <ØW > D8 57 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002B1E4B5DFE0, 16 bytes long.
Data: <P > 50 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002B1E4B5DEF0, 16 bytes long.
Data: <0 > 30 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002B1E4B5DE50, 16 bytes long.
Data: < > E0 02 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002B1E4B5DF90, 16 bytes long.
Data: < > 10 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002B1E4B5E7B0, 16 bytes long.
Data: <p > 70 04 1B 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002B1E4B5E990, 16 bytes long.
Data: < À > 18 C0 19 1A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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