Task 38582248
| Name | HIF2A_A07_A04_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND9220_0 |
| Workunit | 31546587 |
| Created | 13 Dec 2025, 0:12:47 UTC |
| Sent | 13 Dec 2025, 0:12:52 UTC |
| Report deadline | 18 Dec 2025, 0:12:52 UTC |
| Received | 13 Dec 2025, 3:55:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 523908 |
| Run time | 2 hours 31 min 3 sec |
| CPU time | 2 hours 31 min 1 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 56,285.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 516.32 MB |
| Peak swap size | 12.69 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:24:48 (14696): wrapper (7.9.26016): starting
02:24:48 (14696): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A07_A04_0.pdb
QB_A07_A04_0.xml
QB_A07_A04_equil.pdb
QB_A07_A04.inpcrd
QB_A07_A04_input.yaml
QB_A07_A04_mdlambda.pdb
QB_A07_A04_min.pdb
QB_A07_A04_npt.pdb
QB_A07_A04.pdb
QB_A07_A04.prmtop
QB_A07_A04_sys.xml
QB_A07_A04_therm.pdb
run.bat
run.sh
02:24:49 (14696): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:24:49 (14696): 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\26\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\26\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
04:54:50 (14696): C:/Windows/system32/cmd.exe exited; CPU time 9061.734375
04:54:50 (14696): 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: 152874409 bytes.
Dumping objects ->
{3835558} normal block at 0x000001E1C494D810, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835547} normal block at 0x000001E1C494DC70, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835536} normal block at 0x000001E1C494DDC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835525} normal block at 0x000001E1C494E060, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835514} normal block at 0x000001E1C2B74B50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835483} normal block at 0x000001E1C499AF80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835472} normal block at 0x000001E1C49AEE10, 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) : {3835469} normal block at 0x000001E1C2B6DCE0, 8 bytes long.
Data: < ±Âá > 00 00 B1 C2 E1 01 00 00
{3834687} normal block at 0x000001E1C49AED60, 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 0x000001E1C2B6DB50, 8 bytes long.
Data: < 9ŸÄá > 80 39 9F C4 E1 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001E1C2B60D70, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001E1C2B618F0, 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 0x000001E1C2B75AD0, 16 bytes long.
Data: <èe·Âá > E8 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E1C2B75A30, 16 bytes long.
Data: <Àe·Âá > C0 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E1C2B71190, 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 0x000001E1C2B75490, 16 bytes long.
Data: < e·Âá > 98 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E1C2B758F0, 16 bytes long.
Data: <pe·Âá > 70 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E1C2B753F0, 16 bytes long.
Data: <He·Âá > 48 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E1C2B75850, 16 bytes long.
Data: < e·Âá > 20 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E1C2B74920, 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 0x000001E1C2B759E0, 16 bytes long.
Data: < ¿µÂá > 88 BF B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001E1C2B71370, 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 0x000001E1C2B753A0, 16 bytes long.
Data: <`¿µÂá > 60 BF B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E1C2B757B0, 16 bytes long.
Data: <8¿µÂá > 38 BF B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E1C2B75D00, 16 bytes long.
Data: < ¿µÂá > 10 BF B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E1C2B75710, 16 bytes long.
Data: <è¾µÂá > E8 BE B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E1C2B76020, 16 bytes long.
Data: <À¾µÂá > C0 BE B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E1C2B76070, 16 bytes long.
Data: < ¾µÂá > 98 BE B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E1C2B71490, 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 0x000001E1C2B75440, 16 bytes long.
Data: <p¾µÂá > 70 BE B5 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E1C2B5BE70, 320 bytes long.
Data: <@T·Âá ·Âá > 40 54 B7 C2 E1 01 00 00 90 14 B7 C2 E1 01 00 00
{275} normal block at 0x000001E1C2B75350, 16 bytes long.
Data: < e·Âá > 00 65 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E1C2B75670, 16 bytes long.
Data: <Ød·Âá > D8 64 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E1C2B70950, 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 0x000001E1C2B75300, 16 bytes long.
Data: <°d·Âá > B0 64 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001E1C2B71130, 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 0x000001E1C2B75760, 16 bytes long.
Data: <øc·Âá > F8 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E1C2B756C0, 16 bytes long.
Data: <Ðc·Âá > D0 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E1C2B75580, 16 bytes long.
Data: <¨c·Âá > A8 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E1C2B75C60, 16 bytes long.
Data: < c·Âá > 80 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E1C2B75E40, 16 bytes long.
Data: <Xc·Âá > 58 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E1C2B75DF0, 16 bytes long.
Data: <0c·Âá > 30 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E1C2B755D0, 16 bytes long.
Data: <ðF·Âá > F0 46 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E1C2B746F0, 40 bytes long.
Data: <ÐU·Âá ¯ Äá > D0 55 B7 C2 E1 01 00 00 80 AF 99 C4 E1 01 00 00
{261} normal block at 0x000001E1C2B75DA0, 16 bytes long.
Data: < c·Âá > 10 63 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E1C2B75990, 16 bytes long.
Data: <èb·Âá > E8 62 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E1C2B71310, 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 0x000001E1C2B75620, 16 bytes long.
Data: <Àb·Âá > C0 62 B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E1C2B762C0, 992 bytes long.
Data: < V·Âá ·Âá > 20 56 B7 C2 E1 01 00 00 10 13 B7 C2 E1 01 00 00
{93} normal block at 0x000001E1C2B70B30, 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 0x000001E1C2B6D790, 16 bytes long.
Data: <ÀK·Âá > C0 4B B7 C2 E1 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001E1C2B74BC0, 40 bytes long.
Data: < ׶Âá 0 ·Âá > 90 D7 B6 C2 E1 01 00 00 30 0B B7 C2 E1 01 00 00
{70} normal block at 0x000001E1C2B6DA60, 16 bytes long.
Data: < êYöö > 80 EA 59 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E1C2B6D240, 16 bytes long.
Data: <@éYöö > 40 E9 59 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E1C2B6D330, 16 bytes long.
Data: <øWVöö > F8 57 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E1C2B6DE20, 16 bytes long.
Data: <ØWVöö > D8 57 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E1C2B6D6F0, 16 bytes long.
Data: <P Vöö > 50 04 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E1C2B6DBA0, 16 bytes long.
Data: <0 Vöö > 30 04 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E1C2B6D740, 16 bytes long.
Data: <à Vöö > E0 02 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E1C2B6D010, 16 bytes long.
Data: < Vöö > 10 04 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E1C2B6D100, 16 bytes long.
Data: <p Vöö > 70 04 56 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E1C2B6DDD0, 16 bytes long.
Data: < ÀTöö > 18 C0 54 F6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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