Task 38622645
| Name | HIF2A_2_A41_A38_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND5251_0 |
| Workunit | 31573370 |
| Created | 20 Apr 2026, 20:47:34 UTC |
| Sent | 20 Apr 2026, 20:47:40 UTC |
| Report deadline | 25 Apr 2026, 20:47:40 UTC |
| Received | 21 Apr 2026, 2:25:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 593616 |
| Run time | 2 hours 1 min 12 sec |
| CPU time | 2 hours 1 min 12 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 29,505.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 464.14 MB |
| Peak swap size | 6.51 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
09:24:11 (42624): wrapper (7.9.26016): starting
09:24:11 (42624): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A41_A38_0.pdb
QB_A41_A38_0.xml
QB_A41_A38.inpcrd
QB_A41_A38_input.yaml
QB_A41_A38.pdb
QB_A41_A38.prmtop
QB_A41_A38_sys.xml
run.bat
run.sh
09:24:12 (42624): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:24:12 (42624): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
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WARNING: The script pyaml.exe is installed in 'D:\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 'D:\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
11:25:12 (42624): C:/Windows/system32/cmd.exe exited; CPU time 7272.671875
11:25:12 (42624): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 114976093 bytes.
Dumping objects ->
{3835325} normal block at 0x000001FF33AD1560, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835314} normal block at 0x000001FF33AD12C0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835303} normal block at 0x000001FF33AD0A70, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835292} normal block at 0x000001FF33AD0F40, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835281} normal block at 0x000001FF33AD14F0, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835250} normal block at 0x000001FF33BC6B80, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835237} normal block at 0x000001FF31B3EEE0, 8 bytes long.
Data: < ±1 > 00 00 B1 31 FF 01 00 00
{3834073} normal block at 0x000001FF31B3EDF0, 8 bytes long.
Data: < ݲ1 > 90 DD B2 31 FF 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001FF31B315A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001FF31B32360, 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 0x000001FF31B47C20, 16 bytes long.
Data: <x ´1 > 78 83 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001FF31B47BD0, 16 bytes long.
Data: <P ´1 > 50 83 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001FF31B40E00, 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 0x000001FF31B47CC0, 16 bytes long.
Data: <( ´1 > 28 83 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FF31B47360, 16 bytes long.
Data: < ´1 > 00 83 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FF31B47B80, 16 bytes long.
Data: <Ø ´1 > D8 82 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FF31B474A0, 16 bytes long.
Data: <° ´1 > B0 82 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FF31B43200, 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 0x000001FF31B47FE0, 16 bytes long.
Data: <( ³1 > 28 0E B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FF31B40F20, 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 0x000001FF31B47A90, 16 bytes long.
Data: < ³1 > 00 0E B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FF31B47AE0, 16 bytes long.
Data: <Ø ³1 > D8 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FF31B47B30, 16 bytes long.
Data: <° ³1 > B0 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FF31B47770, 16 bytes long.
Data: < ³1 > 88 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FF31B479A0, 16 bytes long.
Data: <` ³1 > 60 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001FF31B47A40, 16 bytes long.
Data: <8 ³1 > 38 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FF31B41760, 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 0x000001FF31B47950, 16 bytes long.
Data: < ³1 > 10 0D B3 31 FF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FF31B30D10, 320 bytes long.
Data: <Py´1 ` ´1 > 50 79 B4 31 FF 01 00 00 60 17 B4 31 FF 01 00 00
{280} normal block at 0x000001FF31B47540, 16 bytes long.
Data: < ´1 > 90 82 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FF31B47D60, 16 bytes long.
Data: <h ´1 > 68 82 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FF31B41820, 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 0x000001FF31B47270, 16 bytes long.
Data: <@ ´1 > 40 82 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FF31B414C0, 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 0x000001FF31B47900, 16 bytes long.
Data: < ´1 > 88 81 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FF31B47450, 16 bytes long.
Data: <` ´1 > 60 81 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FF31B47F90, 16 bytes long.
Data: <8 ´1 > 38 81 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FF31B472C0, 16 bytes long.
Data: < ´1 > 10 81 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FF31B47400, 16 bytes long.
Data: < ´1 > E8 80 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FF31B476D0, 16 bytes long.
Data: <À ´1 > C0 80 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FF31B47810, 16 bytes long.
Data: <@0´1 > 40 30 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FF31B43040, 40 bytes long.
Data: < x´1 k¼3 > 10 78 B4 31 FF 01 00 00 80 6B BC 33 FF 01 00 00
{266} normal block at 0x000001FF31B475E0, 16 bytes long.
Data: < ´1 > A0 80 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FF31B47720, 16 bytes long.
Data: <x ´1 > 78 80 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FF31B41400, 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 0x000001FF31B47E00, 16 bytes long.
Data: <P ´1 > 50 80 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FF31B48050, 992 bytes long.
Data: < ~´1 ´1 > 00 7E B4 31 FF 01 00 00 00 14 B4 31 FF 01 00 00
{98} normal block at 0x000001FF31B41580, 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 0x000001FF31B3F6B0, 16 bytes long.
Data: < 1´1 > 90 31 B4 31 FF 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001FF31B43190, 40 bytes long.
Data: <° ³1 ´1 > B0 F6 B3 31 FF 01 00 00 80 15 B4 31 FF 01 00 00
{73} normal block at 0x000001FF31B3ECB0, 16 bytes long.
Data: < j > 80 EA EC 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001FF31B3EE90, 16 bytes long.
Data: <@ j > 40 E9 EC 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001FF31B3ED00, 16 bytes long.
Data: < W j > F8 57 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001FF31B3F200, 16 bytes long.
Data: <ØW j > D8 57 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FF31B3EA30, 16 bytes long.
Data: <P j > 50 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FF31B3EDA0, 16 bytes long.
Data: <0 j > 30 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FF31B3F480, 16 bytes long.
Data: < j > E0 02 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FF31B3EE40, 16 bytes long.
Data: < j > 10 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FF31B3E9E0, 16 bytes long.
Data: <p j > 70 04 E9 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FF31B3F2A0, 16 bytes long.
Data: < À j > 18 C0 E7 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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