Task 38622074
| Name | HIF2A_2_A02_A36_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND6249_0 |
| Workunit | 31572889 |
| Created | 20 Apr 2026, 13:33:09 UTC |
| Sent | 20 Apr 2026, 13:33:16 UTC |
| Report deadline | 25 Apr 2026, 13:33:16 UTC |
| Received | 21 Apr 2026, 3:50:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652087 |
| Run time | 3 hours 51 min 31 sec |
| CPU time | 3 hours 42 min 30 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 10,950.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 458.28 MB |
| Peak swap size | 3.51 GB |
| Peak disk usage | 2.91 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:59:36 (4780): wrapper (7.9.26016): starting
00:59:36 (4780): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A36_0.pdb
QB_A02_A36_0.xml
QB_A02_A36.inpcrd
QB_A02_A36_input.yaml
QB_A02_A36.pdb
QB_A02_A36.prmtop
QB_A02_A36_sys.xml
run.bat
run.sh
00:59:37 (4780): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:59:37 (4780): 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\3\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\3\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
04:50:08 (4780): C:/Windows/system32/cmd.exe exited; CPU time 13350.984375
04:50:08 (4780): 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: 176303101 bytes.
Dumping objects ->
{3835446} normal block at 0x000002618BBD67A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835435} normal block at 0x000002618BBD6260, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835424} normal block at 0x000002618BBD62D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835413} normal block at 0x000002618BBD61F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835402} normal block at 0x000002618BBD6340, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835371} normal block at 0x000002618D768FF0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835360} normal block at 0x000002618D77E4D0, 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) : {3835357} normal block at 0x000002618BBCDAD0, 8 bytes long.
Data: < í‹a > 00 00 ED 8B 61 02 00 00
{3834642} normal block at 0x000002618D77EA50, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833953} normal block at 0x000002618BBCDBC0, 8 bytes long.
Data: <ÀÕ»‹a > C0 D5 BB 8B 61 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002618BBC1270, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002618BBC1C50, 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 0x000002618BBD4F90, 16 bytes long.
Data: <8`½‹a > 38 60 BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002618BBD4F40, 16 bytes long.
Data: < `½‹a > 10 60 BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002618BBD0C70, 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 0x000002618BBD55D0, 16 bytes long.
Data: <è_½‹a > E8 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002618BBD4950, 16 bytes long.
Data: <À_½‹a > C0 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002618BBD51C0, 16 bytes long.
Data: < _½‹a > 98 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002618BBD4FE0, 16 bytes long.
Data: <p_½‹a > 70 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002618BBD6650, 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 0x000002618BBD53A0, 16 bytes long.
Data: <ø ¼‹a > F8 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002618BBD07F0, 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 0x000002618BBD4E50, 16 bytes long.
Data: <Ð ¼‹a > D0 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002618BBD4E00, 16 bytes long.
Data: <¨ ¼‹a > A8 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002618BBD5800, 16 bytes long.
Data: < ¼‹a > 80 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002618BBD5350, 16 bytes long.
Data: <X ¼‹a > 58 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002618BBD5490, 16 bytes long.
Data: <0 ¼‹a > 30 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002618BBD5080, 16 bytes long.
Data: < ¼‹a > 08 05 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002618BBD1030, 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 0x000002618BBD57B0, 16 bytes long.
Data: <à ¼‹a > E0 04 BC 8B 61 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002618BBC04E0, 320 bytes long.
Data: <°W½‹a 0 ½‹a > B0 57 BD 8B 61 02 00 00 30 10 BD 8B 61 02 00 00
{272} normal block at 0x000002618BBD54E0, 16 bytes long.
Data: <P_½‹a > 50 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002618BBD4D10, 16 bytes long.
Data: <(_½‹a > 28 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002618BBD0910, 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 0x000002618BBD50D0, 16 bytes long.
Data: < _½‹a > 00 5F BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002618BBD0FD0, 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 0x000002618BBD5530, 16 bytes long.
Data: <H^½‹a > 48 5E BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002618BBD4EA0, 16 bytes long.
Data: < ^½‹a > 20 5E BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002618BBD4CC0, 16 bytes long.
Data: <ø]½‹a > F8 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002618BBD4DB0, 16 bytes long.
Data: <Ð]½‹a > D0 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002618BBD5030, 16 bytes long.
Data: <¨]½‹a > A8 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002618BBD4EF0, 16 bytes long.
Data: < ]½‹a > 80 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002618BBD5300, 16 bytes long.
Data: < Ñ»‹a > 20 D1 BB 8B 61 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002618BBBD120, 40 bytes long.
Data: < S½‹a ð v a > 00 53 BD 8B 61 02 00 00 F0 8F 76 8D 61 02 00 00
{258} normal block at 0x000002618BBD5580, 16 bytes long.
Data: <`]½‹a > 60 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002618BBD58A0, 16 bytes long.
Data: <8]½‹a > 38 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002618BBD0D90, 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 0x000002618BBD52B0, 16 bytes long.
Data: < ]½‹a > 10 5D BD 8B 61 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002618BBD5D10, 992 bytes long.
Data: <°R½‹a ½‹a > B0 52 BD 8B 61 02 00 00 90 0D BD 8B 61 02 00 00
{90} normal block at 0x000002618BBD1210, 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 0x000002618BBCD080, 16 bytes long.
Data: <0Å»‹a > 30 C5 BB 8B 61 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002618BBBC530, 40 bytes long.
Data: < м‹a ½‹a > 80 D0 BC 8B 61 02 00 00 10 12 BD 8B 61 02 00 00
{67} normal block at 0x000002618BBCD210, 16 bytes long.
Data: < ê” ö > 80 EA 94 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002618BBCDDA0, 16 bytes long.
Data: <@é” ö > 40 E9 94 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002618BBCCEF0, 16 bytes long.
Data: <øW‘ ö > F8 57 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002618BBCDC60, 16 bytes long.
Data: <ØW‘ ö > D8 57 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002618BBCDA80, 16 bytes long.
Data: <P ‘ ö > 50 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002618BBCD800, 16 bytes long.
Data: <0 ‘ ö > 30 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002618BBCD170, 16 bytes long.
Data: <à ‘ ö > E0 02 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002618BBCDA30, 16 bytes long.
Data: < ‘ ö > 10 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002618BBCCFE0, 16 bytes long.
Data: <p ‘ ö > 70 04 91 8D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002618BBCD490, 16 bytes long.
Data: < À ö > 18 C0 8F 8D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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