Task 38621366
| Name | HIF2A_2_A02_A08_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a_2-5-6-RND0355_0 |
| Workunit | 31572247 |
| Created | 20 Apr 2026, 9:08:50 UTC |
| Sent | 20 Apr 2026, 9:08:54 UTC |
| Report deadline | 25 Apr 2026, 9:08:54 UTC |
| Received | 20 Apr 2026, 11:06:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632099 |
| Run time | 1 hours 58 min 5 sec |
| CPU time | 2 hours 3 min 26 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 30,034.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.73 MB |
| Peak swap size | 12.56 GB |
| Peak disk usage | 3.21 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:17:11 (22116): wrapper (7.9.26016): starting
11:17:11 (22116): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A08_0.pdb
QB_A02_A08_0.xml
QB_A02_A08.inpcrd
QB_A02_A08_input.yaml
QB_A02_A08.pdb
QB_A02_A08.prmtop
QB_A02_A08_sys.xml
run.bat
run.sh
11:17:13 (22116): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:17:13 (22116): 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\10\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\10\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
13:13:19 (22116): C:/Windows/system32/cmd.exe exited; CPU time 7406.843750
13:13:19 (22116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 91725379 bytes.
Dumping objects ->
{3835332} normal block at 0x000001FFCFB71100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835321} normal block at 0x000001FFCFB70FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835310} normal block at 0x000001FFCFB70D10, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835299} normal block at 0x000001FFCFB70ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835288} normal block at 0x000001FFCFB71560, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835257} normal block at 0x000001FFCFC1DF40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x000001FFCFB90E30, 160 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) : {3835243} normal block at 0x000001FFCDF47AB0, 8 bytes long.
Data: < îÍÿ > 00 00 EE CD FF 01 00 00
{3834597} normal block at 0x000001FFCFB90570, 160 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x000001FFCDF477E0, 8 bytes long.
Data: <ð‡ÇÏÿ > F0 87 C7 CF FF 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FFCDF535B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001FFCDF35EF0, 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 0x000001FFCDF54AF0, 16 bytes long.
Data: <XXõÍÿ > 58 58 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FFCDF54A00, 16 bytes long.
Data: <0XõÍÿ > 30 58 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001FFCDF4DC30, 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 0x000001FFCDF54910, 16 bytes long.
Data: < XõÍÿ > 08 58 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FFCDF54B90, 16 bytes long.
Data: <àWõÍÿ > E0 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FFCDF54820, 16 bytes long.
Data: <¸WõÍÿ > B8 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FFCDF547D0, 16 bytes long.
Data: < WõÍÿ > 90 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FFCDF4C690, 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 0x000001FFCDF54730, 16 bytes long.
Data: < ^óÍÿ > 88 5E F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FFCDF4E410, 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 0x000001FFCDF54960, 16 bytes long.
Data: <`^óÍÿ > 60 5E F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FFCDF546E0, 16 bytes long.
Data: <8^óÍÿ > 38 5E F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FFCDF550E0, 16 bytes long.
Data: < ^óÍÿ > 10 5E F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FFCDF545F0, 16 bytes long.
Data: <è]óÍÿ > E8 5D F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FFCDF545A0, 16 bytes long.
Data: <À]óÍÿ > C0 5D F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FFCDF55090, 16 bytes long.
Data: < ]óÍÿ > 98 5D F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FFCDF4E950, 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 0x000001FFCDF548C0, 16 bytes long.
Data: <p]óÍÿ > 70 5D F3 CD FF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FFCDF35D70, 320 bytes long.
Data: <ÀHõÍÿ PéôÍÿ > C0 48 F5 CD FF 01 00 00 50 E9 F4 CD FF 01 00 00
{279} normal block at 0x000001FFCDF54550, 16 bytes long.
Data: <pWõÍÿ > 70 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FFCDF543C0, 16 bytes long.
Data: <HWõÍÿ > 48 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FFCDF4DF30, 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 0x000001FFCDF55310, 16 bytes long.
Data: < WõÍÿ > 20 57 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FFCDF4E350, 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 0x000001FFCDF54C30, 16 bytes long.
Data: <hVõÍÿ > 68 56 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FFCDF54D20, 16 bytes long.
Data: <@VõÍÿ > 40 56 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FFCDF552C0, 16 bytes long.
Data: < VõÍÿ > 18 56 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FFCDF54690, 16 bytes long.
Data: <ðUõÍÿ > F0 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FFCDF54640, 16 bytes long.
Data: <ÈUõÍÿ > C8 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FFCDF54D70, 16 bytes long.
Data: < UõÍÿ > A0 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FFCDF54E60, 16 bytes long.
Data: <`ÄôÍÿ > 60 C4 F4 CD FF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FFCDF4C460, 40 bytes long.
Data: <`NõÍÿ @ßÁÏÿ > 60 4E F5 CD FF 01 00 00 40 DF C1 CF FF 01 00 00
{265} normal block at 0x000001FFCDF544B0, 16 bytes long.
Data: < UõÍÿ > 80 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FFCDF54CD0, 16 bytes long.
Data: <XUõÍÿ > 58 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FFCDF4E230, 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 0x000001FFCDF54500, 16 bytes long.
Data: <0UõÍÿ > 30 55 F5 CD FF 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FFCDF55530, 992 bytes long.
Data: < EõÍÿ 0âôÍÿ > 00 45 F5 CD FF 01 00 00 30 E2 F4 CD FF 01 00 00
{97} normal block at 0x000001FFCDF4E650, 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 0x000001FFCDF476A0, 16 bytes long.
Data: <ðÃôÍÿ > F0 C3 F4 CD FF 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001FFCDF4C3F0, 40 bytes long.
Data: < vôÍÿ PæôÍÿ > A0 76 F4 CD FF 01 00 00 50 E6 F4 CD FF 01 00 00
{74} normal block at 0x000001FFCDF475B0, 16 bytes long.
Data: < ê²]÷ > 80 EA B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001FFCDF47C90, 16 bytes long.
Data: <@é²]÷ > 40 E9 B2 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FFCDF47920, 16 bytes long.
Data: <øW¯]÷ > F8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FFCDF48280, 16 bytes long.
Data: <ØW¯]÷ > D8 57 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FFCDF47650, 16 bytes long.
Data: <P ¯]÷ > 50 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FFCDF47510, 16 bytes long.
Data: <0 ¯]÷ > 30 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FFCDF47600, 16 bytes long.
Data: <à ¯]÷ > E0 02 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FFCDF47E20, 16 bytes long.
Data: < ¯]÷ > 10 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FFCDF47790, 16 bytes long.
Data: <p ¯]÷ > 70 04 AF 5D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FFCDF48230, 16 bytes long.
Data: < À­]÷ > 18 C0 AD 5D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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