Task 38581459
| Name | HIF2A_A27_A22_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND8820_0 |
| Workunit | 31545981 |
| Created | 12 Dec 2025, 10:49:00 UTC |
| Sent | 12 Dec 2025, 10:49:14 UTC |
| Report deadline | 17 Dec 2025, 10:49:14 UTC |
| Received | 14 Dec 2025, 3:05:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 646849 |
| Run time | 2 hours 18 min 40 sec |
| CPU time | 2 hours 18 min 40 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 31,246.27 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 494.77 MB |
| Peak swap size | 8.07 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:49:06 (23308): wrapper (7.9.26016): starting
08:49:06 (23308): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A22_0.pdb
QB_A27_A22_0.xml
QB_A27_A22_equil.pdb
QB_A27_A22.inpcrd
QB_A27_A22_input.yaml
QB_A27_A22_mdlambda.pdb
QB_A27_A22_min.pdb
QB_A27_A22_npt.pdb
QB_A27_A22.pdb
QB_A27_A22.prmtop
QB_A27_A22_sys.xml
QB_A27_A22_therm.pdb
run.bat
run.sh
08:49:07 (23308): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:49:07 (23308): 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\16\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\16\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
11:05:09 (23308): C:/Windows/system32/cmd.exe exited; CPU time 8320.671875
11:05:09 (23308): 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: 169579507 bytes.
Dumping objects ->
{3835647} normal block at 0x0000024BADCE16B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835636} normal block at 0x0000024BADCE0D80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835625} normal block at 0x0000024BADCE1330, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835614} normal block at 0x0000024BADCE1170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835603} normal block at 0x0000024BADCE1480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835572} normal block at 0x0000024BADD8EF10, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835561} normal block at 0x0000024BADDF0860, 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) : {3835558} normal block at 0x0000024BABD6BBC0, 8 bytes long.
Data: < { K > 00 00 7B AD 4B 02 00 00
{3834797} normal block at 0x0000024BADDF0FF0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834065} normal block at 0x0000024BABD6BB70, 8 bytes long.
Data: < K > D0 E6 E9 AD 4B 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000024BABD75490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000024BABD5F430, 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 0x0000024BABD76750, 16 bytes long.
Data: < z K > C8 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024BABD76430, 16 bytes long.
Data: < z K > A0 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024BABD71D10, 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 0x0000024BABD76700, 16 bytes long.
Data: <xz K > 78 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024BABD77060, 16 bytes long.
Data: <Pz K > 50 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024BABD77010, 16 bytes long.
Data: <(z K > 28 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024BABD76FC0, 16 bytes long.
Data: < z K > 00 7A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024BABD706F0, 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 0x0000024BABD76660, 16 bytes long.
Data: <8 K > 38 1B D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024BABD72970, 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 0x0000024BABD76F70, 16 bytes long.
Data: < K > 10 1B D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024BABD77150, 16 bytes long.
Data: < K > E8 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024BABD76E80, 16 bytes long.
Data: < K > C0 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024BABD76CF0, 16 bytes long.
Data: < K > 98 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024BABD766B0, 16 bytes long.
Data: <p K > 70 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024BABD76F20, 16 bytes long.
Data: <H K > 48 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024BABD72010, 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 0x0000024BABD76610, 16 bytes long.
Data: < K > 20 1A D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024BABD71A20, 320 bytes long.
Data: < f K K > 10 66 D7 AB 4B 02 00 00 10 20 D7 AB 4B 02 00 00
{278} normal block at 0x0000024BABD76CA0, 16 bytes long.
Data: < y K > E0 79 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024BABD76C50, 16 bytes long.
Data: < y K > B8 79 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024BABD72430, 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 0x0000024BABD76BB0, 16 bytes long.
Data: < y K > 90 79 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024BABD71FB0, 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 0x0000024BABD76B60, 16 bytes long.
Data: < x K > D8 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024BABD76570, 16 bytes long.
Data: < x K > B0 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024BABD77290, 16 bytes long.
Data: < x K > 88 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024BABD76E30, 16 bytes long.
Data: <`x K > 60 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024BABD76A70, 16 bytes long.
Data: <8x K > 38 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024BABD76930, 16 bytes long.
Data: < x K > 10 78 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024BABD76840, 16 bytes long.
Data: <0 K > 30 05 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024BABD70530, 40 bytes long.
Data: <@h K K > 40 68 D7 AB 4B 02 00 00 10 EF D8 AD 4B 02 00 00
{264} normal block at 0x0000024BABD76A20, 16 bytes long.
Data: < w K > F0 77 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024BABD76AC0, 16 bytes long.
Data: < w K > C8 77 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024BABD72490, 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 0x0000024BABD76B10, 16 bytes long.
Data: < w K > A0 77 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024BABD777A0, 992 bytes long.
Data: < k K $ K > 10 6B D7 AB 4B 02 00 00 90 24 D7 AB 4B 02 00 00
{96} normal block at 0x0000024BABD72A90, 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 0x0000024BABD6B8A0, 16 bytes long.
Data: <@ K > 40 08 D7 AB 4B 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x0000024BABD70840, 40 bytes long.
Data: < K * K > A0 B8 D6 AB 4B 02 00 00 90 2A D7 AB 4B 02 00 00
{71} normal block at 0x0000024BABD6BEE0, 16 bytes long.
Data: < > 80 EA AB FE F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024BABD6C200, 16 bytes long.
Data: <@ > 40 E9 AB FE F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024BABD6BB20, 16 bytes long.
Data: < W > F8 57 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024BABD6B850, 16 bytes long.
Data: < W > D8 57 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024BABD6BCB0, 16 bytes long.
Data: <P > 50 04 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024BABD6C2F0, 16 bytes long.
Data: <0 > 30 04 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024BABD6B800, 16 bytes long.
Data: < > E0 02 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024BABD6B6C0, 16 bytes long.
Data: < > 10 04 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024BABD6C070, 16 bytes long.
Data: <p > 70 04 A8 FE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024BABD6B670, 16 bytes long.
Data: < > 18 C0 A6 FE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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