Task 38624562
| Name | HIF2A_2_A11_A37_r0_3-QUICO_ATM_GAFF2_NAGL_hif2a_2-3-6-RND0286_0 |
| Workunit | 31574918 |
| Created | 23 Apr 2026, 5:14:41 UTC |
| Sent | 23 Apr 2026, 5:14:45 UTC |
| Report deadline | 28 Apr 2026, 5:14:45 UTC |
| Received | 23 Apr 2026, 6:52:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629717 |
| Run time | 1 hours 37 min 50 sec |
| CPU time | 1 hours 37 min 50 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 28,392.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 510.58 MB |
| Peak swap size | 12.68 GB |
| Peak disk usage | 2.90 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
00:17:04 (112536): wrapper (7.9.26016): starting
00:17:04 (112536): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A37_0.pdb
QB_A11_A37_0.xml
QB_A11_A37.inpcrd
QB_A11_A37_input.yaml
QB_A11_A37.pdb
QB_A11_A37.prmtop
QB_A11_A37_sys.xml
run.bat
run.sh
00:17:05 (112536): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:17:05 (112536): 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
01:52:27 (112536): C:/Windows/system32/cmd.exe exited; CPU time 5870.703125
01:52:27 (112536): 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: 129044097 bytes.
Dumping objects ->
{3835311} normal block at 0x00000239B07945C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835300} normal block at 0x00000239B07944E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835289} normal block at 0x00000239B07942B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835278} normal block at 0x00000239B07948D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x00000239B0794240, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835236} normal block at 0x00000239B06ECC40, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x00000239B074E520, 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) : {3835222} normal block at 0x00000239AE92E3B0, 8 bytes long.
Data: < G°9 > 00 00 47 B0 39 02 00 00
{3834575} normal block at 0x00000239B074F390, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x00000239AE92DF50, 8 bytes long.
Data: <0H|°9 > 30 48 7C B0 39 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000239AE9216D0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000239AE9226F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000239AE935970, 16 bytes long.
Data: <xj“®9 > 78 6A 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000239AE936460, 16 bytes long.
Data: <Pj“®9 > 50 6A 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000239AE930340, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x00000239AE9362D0, 16 bytes long.
Data: <(j“®9 > 28 6A 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000239AE936000, 16 bytes long.
Data: < j“®9 > 00 6A 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000239AE935C90, 16 bytes long.
Data: <Øi“®9 > D8 69 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000239AE9363C0, 16 bytes long.
Data: <°i“®9 > B0 69 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000239AE933EC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x00000239AE935FB0, 16 bytes long.
Data: <Øþ‘®9 > D8 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000239AE92FF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x00000239AE935BA0, 16 bytes long.
Data: <°þ‘®9 > B0 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000239AE935830, 16 bytes long.
Data: < þ‘®9 > 88 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000239AE9365A0, 16 bytes long.
Data: <`þ‘®9 > 60 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000239AE935B50, 16 bytes long.
Data: <8þ‘®9 > 38 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000239AE935EC0, 16 bytes long.
Data: < þ‘®9 > 10 FE 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000239AE9365F0, 16 bytes long.
Data: <èý‘®9 > E8 FD 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000239AE9302E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x00000239AE935A60, 16 bytes long.
Data: <Àý‘®9 > C0 FD 91 AE 39 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000239AE91FDC0, 320 bytes long.
Data: <`Z“®9 à “®9 > 60 5A 93 AE 39 02 00 00 E0 02 93 AE 39 02 00 00
{276} normal block at 0x00000239AE935B00, 16 bytes long.
Data: < i“®9 > 90 69 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000239AE935F60, 16 bytes long.
Data: <hi“®9 > 68 69 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000239AE92FB00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x00000239AE936280, 16 bytes long.
Data: <@i“®9 > 40 69 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000239AE92F800, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x00000239AE9366E0, 16 bytes long.
Data: < h“®9 > 88 68 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000239AE936190, 16 bytes long.
Data: <`h“®9 > 60 68 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000239AE935CE0, 16 bytes long.
Data: <8h“®9 > 38 68 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000239AE935E20, 16 bytes long.
Data: < h“®9 > 10 68 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000239AE935D80, 16 bytes long.
Data: <èg“®9 > E8 67 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000239AE936230, 16 bytes long.
Data: <Àg“®9 > C0 67 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000239AE935C40, 16 bytes long.
Data: <P>“®9 > 50 3E 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000239AE933E50, 40 bytes long.
Data: <@\“®9 @Ìn°9 > 40 5C 93 AE 39 02 00 00 40 CC 6E B0 39 02 00 00
{262} normal block at 0x00000239AE936140, 16 bytes long.
Data: < g“®9 > A0 67 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000239AE9360F0, 16 bytes long.
Data: <xg“®9 > 78 67 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000239AE930640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x00000239AE9361E0, 16 bytes long.
Data: <Pg“®9 > 50 67 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000239AE936750, 992 bytes long.
Data: <àa“®9 @ “®9 > E0 61 93 AE 39 02 00 00 40 06 93 AE 39 02 00 00
{94} normal block at 0x00000239AE92FCE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x00000239AE92DFF0, 16 bytes long.
Data: < ?“®9 > A0 3F 93 AE 39 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000239AE933FA0, 40 bytes long.
Data: <ðß’®9 àü’®9 > F0 DF 92 AE 39 02 00 00 E0 FC 92 AE 39 02 00 00
{71} normal block at 0x00000239AE92DA50, 16 bytes long.
Data: < ê ¤÷ > 80 EA 01 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000239AE92D9B0, 16 bytes long.
Data: <@é ¤÷ > 40 E9 01 A4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000239AE92DEB0, 16 bytes long.
Data: <øWþ£÷ > F8 57 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000239AE92E040, 16 bytes long.
Data: <ØWþ£÷ > D8 57 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000239AE92D5F0, 16 bytes long.
Data: <P þ£÷ > 50 04 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000239AE92D730, 16 bytes long.
Data: <0 þ£÷ > 30 04 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000239AE92DC30, 16 bytes long.
Data: <à þ£÷ > E0 02 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000239AE92DDC0, 16 bytes long.
Data: < þ£÷ > 10 04 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000239AE92D870, 16 bytes long.
Data: <p þ£÷ > 70 04 FE A3 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000239AE92D5A0, 16 bytes long.
Data: < Àü£÷ > 18 C0 FC A3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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