Task 38610638
| Name | hif2a_A37_A07_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND9182_0 |
| Workunit | 31563504 |
| Created | 15 Apr 2026, 11:46:20 UTC |
| Sent | 15 Apr 2026, 11:46:22 UTC |
| Report deadline | 20 Apr 2026, 11:46:22 UTC |
| Received | 16 Apr 2026, 6:51:21 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605003 |
| Run time | 2 hours 51 min |
| CPU time | 2 hours 51 min |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 50,489.32 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 488.97 MB |
| Peak swap size | 12.65 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:19:52 (32976): wrapper (7.9.26016): starting
05:19:52 (32976): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A37_A07_0.pdb
QB_A37_A07_0.xml
QB_A37_A07.inpcrd
QB_A37_A07_input.yaml
QB_A37_A07.pdb
QB_A37_A07.prmtop
QB_A37_A07_sys.xml
run.bat
run.sh
05:19:53 (32976): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:19:53 (32976): 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:\Boinc\005\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:\Boinc\005\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
08:50:10 (32976): C:/Windows/system32/cmd.exe exited; CPU time 10260.937500
08:50:10 (32976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 379530509 bytes.
Dumping objects ->
{3835648} normal block at 0x000001C74A224860, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835637} normal block at 0x000001C74C0652D0, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835626} normal block at 0x000001C74C066590, 32 bytes long.
Data: <TMP=c:\boinc\005> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 35
{3835615} normal block at 0x000001C74C0651B0, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835604} normal block at 0x000001C74C065C30, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835573} normal block at 0x000001C74A224D30, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835562} normal block at 0x000001C74A28A000, 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) : {3835558} normal block at 0x000001C74A21D480, 8 bytes long.
Data: < „JÇ > 00 00 84 4A C7 01 00 00
{3834731} normal block at 0x000001C74A289710, 140 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 0x000001C74A21D0C0, 8 bytes long.
Data: <p× JÇ > 70 D7 20 4A C7 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C74A210DE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001C74A212040, 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 0x000001C74A225DE0, 16 bytes long.
Data: <xf"JÇ > 78 66 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001C74A2260B0, 16 bytes long.
Data: <Pf"JÇ > 50 66 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001C74A221340, 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 0x000001C74A2261F0, 16 bytes long.
Data: <(f"JÇ > 28 66 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001C74A2258E0, 16 bytes long.
Data: < f"JÇ > 00 66 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C74A225570, 16 bytes long.
Data: <Øe"JÇ > D8 65 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C74A2257A0, 16 bytes long.
Data: <°e"JÇ > B0 65 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001C74A224B70, 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 0x000001C74A225430, 16 bytes long.
Data: <Èò JÇ > C8 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C74A220DA0, 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 0x000001C74A2261A0, 16 bytes long.
Data: < ò JÇ > A0 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C74A225B60, 16 bytes long.
Data: <xò JÇ > 78 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C74A225C00, 16 bytes long.
Data: <Pò JÇ > 50 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C74A225D40, 16 bytes long.
Data: <(ò JÇ > 28 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C74A225B10, 16 bytes long.
Data: < ò JÇ > 00 F2 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C74A225ED0, 16 bytes long.
Data: <Øñ JÇ > D8 F1 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C74A2209E0, 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 0x000001C74A225A20, 16 bytes long.
Data: <°ñ JÇ > B0 F1 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C74A20F1B0, 320 bytes long.
Data: < Z"JÇ à "JÇ > 20 5A 22 4A C7 01 00 00 E0 09 22 4A C7 01 00 00
{279} normal block at 0x000001C74A225AC0, 16 bytes long.
Data: < e"JÇ > 90 65 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C74A225BB0, 16 bytes long.
Data: <he"JÇ > 68 65 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C74A220B00, 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 0x000001C74A225F20, 16 bytes long.
Data: <@e"JÇ > 40 65 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C74A2212E0, 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 0x000001C74A225700, 16 bytes long.
Data: < d"JÇ > 88 64 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C74A225CF0, 16 bytes long.
Data: <`d"JÇ > 60 64 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C74A2262E0, 16 bytes long.
Data: <8d"JÇ > 38 64 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C74A2256B0, 16 bytes long.
Data: < d"JÇ > 10 64 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C74A225890, 16 bytes long.
Data: <èc"JÇ > E8 63 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C74A225E80, 16 bytes long.
Data: <Àc"JÇ > C0 63 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C74A225CA0, 16 bytes long.
Data: < K"JÇ > 00 4B 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C74A224B00, 40 bytes long.
Data: < \"JÇ 0M"JÇ > A0 5C 22 4A C7 01 00 00 30 4D 22 4A C7 01 00 00
{265} normal block at 0x000001C74A225660, 16 bytes long.
Data: < c"JÇ > A0 63 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001C74A225C50, 16 bytes long.
Data: <xc"JÇ > 78 63 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C74A220980, 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 0x000001C74A225E30, 16 bytes long.
Data: <Pc"JÇ > 50 63 22 4A C7 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C74A226350, 992 bytes long.
Data: <0^"JÇ "JÇ > 30 5E 22 4A C7 01 00 00 80 09 22 4A C7 01 00 00
{97} normal block at 0x000001C74A220F20, 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 0x000001C74A21D200, 16 bytes long.
Data: <`å JÇ > 60 E5 20 4A C7 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001C74A20E560, 40 bytes long.
Data: < Ò!JÇ "JÇ > 00 D2 21 4A C7 01 00 00 20 0F 22 4A C7 01 00 00
{74} normal block at 0x000001C74A21D390, 16 bytes long.
Data: < ê¬A÷ > 80 EA AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001C74A21D980, 16 bytes long.
Data: <@é¬A÷ > 40 E9 AC 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001C74A21D890, 16 bytes long.
Data: <øW©A÷ > F8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001C74A21D1B0, 16 bytes long.
Data: <ØW©A÷ > D8 57 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001C74A21D660, 16 bytes long.
Data: <P ©A÷ > 50 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C74A21D8E0, 16 bytes long.
Data: <0 ©A÷ > 30 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C74A21D5C0, 16 bytes long.
Data: <à ©A÷ > E0 02 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C74A21D3E0, 16 bytes long.
Data: < ©A÷ > 10 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C74A21DAC0, 16 bytes long.
Data: <p ©A÷ > 70 04 A9 41 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C74A21D6B0, 16 bytes long.
Data: < À§A÷ > 18 C0 A7 41 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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