Task 38620011
| Name | HIF2A_2_A09_A10_r0_4-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND9347_0 |
| Workunit | 31571294 |
| Created | 19 Apr 2026, 4:14:25 UTC |
| Sent | 19 Apr 2026, 4:14:37 UTC |
| Report deadline | 24 Apr 2026, 4:14:37 UTC |
| Received | 19 Apr 2026, 6:03:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 622645 |
| Run time | 1 hours 49 min 2 sec |
| CPU time | 1 hours 49 min 20 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 46,098.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 476.31 MB |
| Peak swap size | 6.57 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
06:15:37 (16892): wrapper (7.9.26016): starting
06:15:37 (16892): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A10_0.pdb
QB_A09_A10_0.xml
QB_A09_A10.inpcrd
QB_A09_A10_input.yaml
QB_A09_A10.pdb
QB_A09_A10.prmtop
QB_A09_A10_sys.xml
run.bat
run.sh
06:15:38 (16892): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:15:38 (16892): 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\1\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\1\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.
tar: r0/checkpoint.xml: time stamp 2026-04-19 06:20:03 is 254.6259308 s in the future
tar: r1/checkpoint.xml: time stamp 2026-04-19 06:20:03 is 254.5094962 s in the future
tar: r10/checkpoint.xml: time stamp 2026-04-19 06:20:07 is 258.406927 s in the future
tar: r11/checkpoint.xml: time stamp 2026-04-19 06:20:07 is 258.2907386 s in the future
tar: r12/checkpoint.xml: time stamp 2026-04-19 06:20:08 is 259.1757579 s in the future
tar: r13/checkpoint.xml: time stamp 2026-04-19 06:20:08 is 259.0731314 s in the future
tar: r14/checkpoint.xml: time stamp 2026-04-19 06:20:08 is 258.9572796 s in the future
tar: r15/checkpoint.xml: time stamp 2026-04-19 06:20:09 is 259.8541209 s in the future
tar: r16/checkpoint.xml: time stamp 2026-04-19 06:20:09 is 259.7398002 s in the future
tar: r17/checkpoint.xml: time stamp 2026-04-19 06:20:09 is 259.6230687 s in the future
tar: r18/checkpoint.xml: time stamp 2026-04-19 06:20:10 is 260.520128 s in the future
tar: r19/checkpoint.xml: time stamp 2026-04-19 06:20:10 is 260.4036745 s in the future
tar: r2/checkpoint.xml: time stamp 2026-04-19 06:20:04 is 254.3002592 s in the future
tar: r20/checkpoint.xml: time stamp 2026-04-19 06:20:11 is 261.1850197 s in the future
tar: r21/checkpoint.xml: time stamp 2026-04-19 06:20:11 is 261.0690771 s in the future
tar: r3/checkpoint.xml: time stamp 2026-04-19 06:20:04 is 253.9656393 s in the future
tar: r4/checkpoint.xml: time stamp 2026-04-19 06:20:04 is 253.8500073 s in the future
tar: r5/checkpoint.xml: time stamp 2026-04-19 06:20:05 is 254.7465071 s in the future
tar: r6/checkpoint.xml: time stamp 2026-04-19 06:20:05 is 254.6292806 s in the future
tar: r7/checkpoint.xml: time stamp 2026-04-19 06:20:06 is 255.5128474 s in the future
tar: r8/checkpoint.xml: time stamp 2026-04-19 06:20:06 is 255.4092278 s in the future
tar: r9/checkpoint.xml: time stamp 2026-04-19 06:20:06 is 255.3020482 s in the future
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
08:03:09 (16892): C:/Windows/system32/cmd.exe exited; CPU time 6560.718750
08:03:09 (16892): 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: 111157771 bytes.
Dumping objects ->
{3835275} normal block at 0x000001DAF6F39CB0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835264} normal block at 0x000001DAF6F399A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x000001DAF6F155B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835242} normal block at 0x000001DAF6F15540, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x000001DAF6F154D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835200} normal block at 0x000001DAF8A6A450, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835189} normal block at 0x000001DAF8A7EC90, 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) : {3835186} normal block at 0x000001DAF6F0E1E0, 8 bytes long.
Data: < (÷Ú > 00 00 28 F7 DA 01 00 00
{3834568} normal block at 0x000001DAF8A7F000, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x000001DAF6F0E2D0, 8 bytes long.
Data: < ÙïöÚ > 10 D9 EF F6 DA 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001DAF6F010C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DAF6F02420, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001DAF6F163A0, 16 bytes long.
Data: < nñöÚ > 18 6E F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DAF6F16080, 16 bytes long.
Data: <ðmñöÚ > F0 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001DAF6F11310, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001DAF6F165D0, 16 bytes long.
Data: <ÈmñöÚ > C8 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DAF6F16300, 16 bytes long.
Data: < mñöÚ > A0 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DAF6F16350, 16 bytes long.
Data: <xmñöÚ > 78 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DAF6F162B0, 16 bytes long.
Data: <PmñöÚ > 50 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DAF6F15070, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001DAF6F15C70, 16 bytes long.
Data: < ñöÚ > 88 0E F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DAF6F11CD0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001DAF6F15F90, 16 bytes long.
Data: <` ñöÚ > 60 0E F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DAF6F16490, 16 bytes long.
Data: <8 ñöÚ > 38 0E F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DAF6F167B0, 16 bytes long.
Data: < ñöÚ > 10 0E F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DAF6F16210, 16 bytes long.
Data: <è ñöÚ > E8 0D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DAF6F15F40, 16 bytes long.
Data: <À ñöÚ > C0 0D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DAF6F161C0, 16 bytes long.
Data: < ñöÚ > 98 0D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001DAF6F111F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001DAF6F16440, 16 bytes long.
Data: <p ñöÚ > 70 0D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001DAF6F10D70, 320 bytes long.
Data: <@dñöÚ ð ñöÚ > 40 64 F1 F6 DA 01 00 00 F0 11 F1 F6 DA 01 00 00
{275} normal block at 0x000001DAF6F15FE0, 16 bytes long.
Data: <0mñöÚ > 30 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DAF6F15EF0, 16 bytes long.
Data: < mñöÚ > 08 6D F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DAF6F11670, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001DAF6F16260, 16 bytes long.
Data: <àlñöÚ > E0 6C F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DAF6F11C70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001DAF6F16580, 16 bytes long.
Data: <(lñöÚ > 28 6C F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DAF6F16670, 16 bytes long.
Data: < lñöÚ > 00 6C F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DAF6F15C20, 16 bytes long.
Data: <ØkñöÚ > D8 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DAF6F15E50, 16 bytes long.
Data: <°kñöÚ > B0 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DAF6F16620, 16 bytes long.
Data: < kñöÚ > 88 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DAF6F15E00, 16 bytes long.
Data: <`kñöÚ > 60 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DAF6F15BD0, 16 bytes long.
Data: < RñöÚ > A0 52 F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001DAF6F152A0, 40 bytes long.
Data: <Ð[ñöÚ P¤¦øÚ > D0 5B F1 F6 DA 01 00 00 50 A4 A6 F8 DA 01 00 00
{261} normal block at 0x000001DAF6F15D60, 16 bytes long.
Data: <@kñöÚ > 40 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DAF6F16940, 16 bytes long.
Data: < kñöÚ > 18 6B F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001DAF6F11610, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001DAF6F15D10, 16 bytes long.
Data: <ðjñöÚ > F0 6A F1 F6 DA 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001DAF6F16AF0, 992 bytes long.
Data: < ]ñöÚ ñöÚ > 10 5D F1 F6 DA 01 00 00 10 16 F1 F6 DA 01 00 00
{93} normal block at 0x000001DAF6F119D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001DAF6F0D830, 16 bytes long.
Data: < ÈïöÚ > 80 C8 EF F6 DA 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001DAF6EFC880, 40 bytes long.
Data: <0ØðöÚ Ð ñöÚ > 30 D8 F0 F6 DA 01 00 00 D0 19 F1 F6 DA 01 00 00
{70} normal block at 0x000001DAF6F0D790, 16 bytes long.
Data: < êH+÷ > 80 EA 48 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DAF6F0DDD0, 16 bytes long.
Data: <@éH+÷ > 40 E9 48 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DAF6F0DF60, 16 bytes long.
Data: <øWE+÷ > F8 57 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DAF6F0DD80, 16 bytes long.
Data: <ØWE+÷ > D8 57 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DAF6F0DD30, 16 bytes long.
Data: <P E+÷ > 50 04 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DAF6F0E280, 16 bytes long.
Data: <0 E+÷ > 30 04 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DAF6F0D3D0, 16 bytes long.
Data: <à E+÷ > E0 02 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DAF6F0DBF0, 16 bytes long.
Data: < E+÷ > 10 04 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DAF6F0DAB0, 16 bytes long.
Data: <p E+÷ > 70 04 45 2B F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001DAF6F0E050, 16 bytes long.
Data: < ÀC+÷ > 18 C0 43 2B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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