Task 38581546
| Name | HIF2A_A40_A25_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND2943_0 |
| Workunit | 31546065 |
| Created | 12 Dec 2025, 10:51:47 UTC |
| Sent | 12 Dec 2025, 10:51:54 UTC |
| Report deadline | 17 Dec 2025, 10:51:54 UTC |
| Received | 12 Dec 2025, 23:08:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630720 |
| Run time | 2 hours 57 min 36 sec |
| CPU time | 2 hours 42 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 15,216.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 452.71 MB |
| Peak swap size | 5.70 GB |
| Peak disk usage | 2.93 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:09:33 (32252): wrapper (7.9.26016): starting
04:09:33 (32252): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A40_A25_0.pdb
QB_A40_A25_0.xml
QB_A40_A25_equil.pdb
QB_A40_A25.inpcrd
QB_A40_A25_input.yaml
QB_A40_A25_mdlambda.pdb
QB_A40_A25_min.pdb
QB_A40_A25_npt.pdb
QB_A40_A25.pdb
QB_A40_A25.prmtop
QB_A40_A25_sys.xml
QB_A40_A25_therm.pdb
run.bat
run.sh
04:09:38 (32252): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:09:48 (32252): 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\11\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\11\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
07:06:26 (32252): C:/Windows/system32/cmd.exe exited; CPU time 9755.546875
07:06:26 (32252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
534 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: 126134755 bytes.
Dumping objects ->
{3835220} normal block at 0x000001EFAAAA7580, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x000001EFAAAA7510, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x000001EFAAAA7430, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x000001EFAAAA7350, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x000001EFAAAA72E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x000001EFAC797FB0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835134} normal block at 0x000001EFAAAFF140, 139 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) : {3835131} normal block at 0x000001EFAAAA0790, 8 bytes long.
Data: < «ï > 00 00 09 AB EF 01 00 00
{3834538} normal block at 0x000001EFAAAFF210, 139 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 0x000001EFAAAA01A0, 8 bytes long.
Data: < ^ • > 90 5E 7F AC EF 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001EFAAA937F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EFAAA94F50, 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 0x000001EFAAAA8070, 16 bytes long.
Data: <8‹ªªï > 38 8B AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EFAAAA8340, 16 bytes long.
Data: < ‹ªªï > 10 8B AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EFAAAA3B20, 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 0x000001EFAAAA8750, 16 bytes long.
Data: <芪ªï > E8 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001EFAAAA79E0, 16 bytes long.
Data: <ÀŠªªï > C0 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EFAAAA8200, 16 bytes long.
Data: < Šªªï > 98 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFAAAA82F0, 16 bytes long.
Data: <pŠªªï > 70 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EFAAAA7660, 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 0x000001EFAAAA7990, 16 bytes long.
Data: < @©ªï > 98 40 A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EFAAAA39A0, 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 0x000001EFAAAA80C0, 16 bytes long.
Data: <p@©ªï > 70 40 A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EFAAAA8430, 16 bytes long.
Data: <H@©ªï > 48 40 A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EFAAAA7850, 16 bytes long.
Data: < @©ªï > 20 40 A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EFAAAA8020, 16 bytes long.
Data: <ø?©ªï > F8 3F A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EFAAAA85C0, 16 bytes long.
Data: <Ð?©ªï > D0 3F A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFAAAA7A80, 16 bytes long.
Data: <¨?©ªï > A8 3F A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EFAAAA3E20, 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 0x000001EFAAAA78F0, 16 bytes long.
Data: < ?©ªï > 80 3F A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001EFAAA93F80, 320 bytes long.
Data: <ðxªªï >ªªï > F0 78 AA AA EF 01 00 00 20 3E AA AA EF 01 00 00
{275} normal block at 0x000001EFAAAA7B70, 16 bytes long.
Data: <PŠªªï > 50 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFAAAA86B0, 16 bytes long.
Data: <(Šªªï > 28 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EFAAAA3DC0, 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 0x000001EFAAAA8160, 16 bytes long.
Data: < Šªªï > 00 8A AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EFAAAA3940, 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 0x000001EFAAAA7E40, 16 bytes long.
Data: <H‰ªªï > 48 89 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFAAAA7F30, 16 bytes long.
Data: < ‰ªªï > 20 89 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EFAAAA7D50, 16 bytes long.
Data: <ø ªªï > F8 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EFAAAA87A0, 16 bytes long.
Data: <Ð ªªï > D0 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EFAAAA7AD0, 16 bytes long.
Data: <¨ ªªï > A8 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EFAAAA7D00, 16 bytes long.
Data: < ªªï > 80 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFAAAA7940, 16 bytes long.
Data: <ðuªªï > F0 75 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EFAAAA75F0, 40 bytes long.
Data: <@yªªï ° y¬ï > 40 79 AA AA EF 01 00 00 B0 7F 79 AC EF 01 00 00
{261} normal block at 0x000001EFAAAA78A0, 16 bytes long.
Data: <` ªªï > 60 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001EFAAAA7C10, 16 bytes long.
Data: <8 ªªï > 38 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EFAAAA3820, 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 0x000001EFAAAA81B0, 16 bytes long.
Data: < ªªï > 10 88 AA AA EF 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001EFAAAA8810, 992 bytes long.
Data: <° ªªï 8ªªï > B0 81 AA AA EF 01 00 00 20 38 AA AA EF 01 00 00
{93} normal block at 0x000001EFAAAA4300, 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 0x000001EFAAA9FE80, 16 bytes long.
Data: <@ ©ªï > 40 01 A9 AA EF 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001EFAAA90140, 40 bytes long.
Data: < þ©ªï Cªªï > 80 FE A9 AA EF 01 00 00 00 43 AA AA EF 01 00 00
{70} normal block at 0x000001EFAAAA0150, 16 bytes long.
Data: < ê $÷ > 80 EA 06 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EFAAAA04C0, 16 bytes long.
Data: <@é $÷ > 40 E9 06 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EFAAA9FAC0, 16 bytes long.
Data: <øW $÷ > F8 57 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EFAAAA00B0, 16 bytes long.
Data: <ØW $÷ > D8 57 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EFAAA9F930, 16 bytes long.
Data: <P $÷ > 50 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EFAAAA06F0, 16 bytes long.
Data: <0 $÷ > 30 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EFAAAA0100, 16 bytes long.
Data: <à $÷ > E0 02 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EFAAA9FDE0, 16 bytes long.
Data: < $÷ > 10 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EFAAAA0060, 16 bytes long.
Data: <p $÷ > 70 04 03 24 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EFAAAA06A0, 16 bytes long.
Data: < À $÷ > 18 C0 01 24 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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