Task 38619154
| Name | HIF2A_2_A39_A21_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND1597_0 |
| Workunit | 31570552 |
| Created | 18 Apr 2026, 19:14:50 UTC |
| Sent | 18 Apr 2026, 19:14:57 UTC |
| Report deadline | 23 Apr 2026, 19:14:57 UTC |
| Received | 18 Apr 2026, 21:32:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649774 |
| Run time | 2 hours 16 min 23 sec |
| CPU time | 2 hours 11 min 23 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 20,852.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 462.46 MB |
| Peak swap size | 6.51 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:15:42 (26580): wrapper (7.9.26016): starting
13:15:42 (26580): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A21_0.pdb
QB_A39_A21_0.xml
QB_A39_A21.inpcrd
QB_A39_A21_input.yaml
QB_A39_A21.pdb
QB_A39_A21.prmtop
QB_A39_A21_sys.xml
run.bat
run.sh
13:15:43 (26580): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:15:43 (26580): 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\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 'C:\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
15:31:48 (26580): C:/Windows/system32/cmd.exe exited; CPU time 7883.359375
15:31:48 (26580): 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: 107370417 bytes.
Dumping objects ->
{3835592} normal block at 0x00000174BBD786F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835581} normal block at 0x00000174BA0E5290, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835570} normal block at 0x00000174BA0E5220, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835559} normal block at 0x00000174BA0E51B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x00000174BA0E5140, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835517} normal block at 0x00000174BBD286E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835506} normal block at 0x00000174BBD3EB30, 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) : {3835503} normal block at 0x00000174BA0DE0E0, 8 bytes long.
Data: < Hºt > 00 00 48 BA 74 01 00 00
{3834709} normal block at 0x00000174BBD3E870, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000174BA0DDD70, 8 bytes long.
Data: <@Ù ºt > 40 D9 0C BA 74 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000174BA0D1F50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000174BA0D02F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000174BA0E5F50, 16 bytes long.
Data: <Hl ºt > 48 6C 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000174BA0E6590, 16 bytes long.
Data: < l ºt > 20 6C 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000174BA0DFF00, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000174BA0E5CD0, 16 bytes long.
Data: <øk ºt > F8 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000174BA0E5A50, 16 bytes long.
Data: <Ðk ºt > D0 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000174BA0E64F0, 16 bytes long.
Data: <¨k ºt > A8 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000174BA0E64A0, 16 bytes long.
Data: < k ºt > 80 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000174BA0E5060, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000174BA0E5D70, 16 bytes long.
Data: < ô ºt > 98 F4 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000174BA0E0080, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000174BA0E6220, 16 bytes long.
Data: <pô ºt > 70 F4 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000174BA0E61D0, 16 bytes long.
Data: <Hô ºt > 48 F4 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000174BA0E6130, 16 bytes long.
Data: < ô ºt > 20 F4 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000174BA0E63B0, 16 bytes long.
Data: <øó ºt > F8 F3 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000174BA0E62C0, 16 bytes long.
Data: <Ðó ºt > D0 F3 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000174BA0E6770, 16 bytes long.
Data: <¨ó ºt > A8 F3 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000174BA0DF5A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000174BA0E5E60, 16 bytes long.
Data: < ó ºt > 80 F3 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000174BA0CF380, 320 bytes long.
Data: <`^ ºt  õ ºt > 60 5E 0E BA 74 01 00 00 A0 F5 0D BA 74 01 00 00
{274} normal block at 0x00000174BA0E5DC0, 16 bytes long.
Data: <`k ºt > 60 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000174BA0E6310, 16 bytes long.
Data: <8k ºt > 38 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000174BA0DFD20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000174BA0E6540, 16 bytes long.
Data: < k ºt > 10 6B 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000174BA0DF780, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000174BA0E5B40, 16 bytes long.
Data: <Xj ºt > 58 6A 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000174BA0E6720, 16 bytes long.
Data: <0j ºt > 30 6A 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000174BA0E60E0, 16 bytes long.
Data: < j ºt > 08 6A 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000174BA0E6180, 16 bytes long.
Data: <ài ºt > E0 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000174BA0E5AF0, 16 bytes long.
Data: <¸i ºt > B8 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000174BA0E5AA0, 16 bytes long.
Data: < i ºt > 90 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000174BA0E5F00, 16 bytes long.
Data: < S ºt > 00 53 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000174BA0E5300, 40 bytes long.
Data: < _ ºt à†Ò»t > 00 5F 0E BA 74 01 00 00 E0 86 D2 BB 74 01 00 00
{260} normal block at 0x00000174BA0E6450, 16 bytes long.
Data: <pi ºt > 70 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000174BA0E66D0, 16 bytes long.
Data: <Hi ºt > 48 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000174BA0E0380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000174BA0E6360, 16 bytes long.
Data: < i ºt > 20 69 0E BA 74 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000174BA0E6920, 992 bytes long.
Data: <`c ºt ºt > 60 63 0E BA 74 01 00 00 80 03 0E BA 74 01 00 00
{92} normal block at 0x00000174BA0DFB40, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000174BA0DDD20, 16 bytes long.
Data: <à ºt > E0 C2 0C BA 74 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000174BA0CC2E0, 40 bytes long.
Data: < Ý ºt @û ºt > 20 DD 0D BA 74 01 00 00 40 FB 0D BA 74 01 00 00
{69} normal block at 0x00000174BA0DD280, 16 bytes long.
Data: < êé ö > 80 EA E9 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000174BA0DDC30, 16 bytes long.
Data: <@éé ö > 40 E9 E9 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000174BA0DDBE0, 16 bytes long.
Data: <øWæ ö > F8 57 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000174BA0DD7D0, 16 bytes long.
Data: <ØWæ ö > D8 57 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000174BA0DD5A0, 16 bytes long.
Data: <P æ ö > 50 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000174BA0DDDC0, 16 bytes long.
Data: <0 æ ö > 30 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000174BA0DDAF0, 16 bytes long.
Data: <à æ ö > E0 02 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000174BA0DD320, 16 bytes long.
Data: < æ ö > 10 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000174BA0DDA00, 16 bytes long.
Data: <p æ ö > 70 04 E6 11 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000174BA0DD960, 16 bytes long.
Data: < Àä ö > 18 C0 E4 11 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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