Task 38619391
| Name | HIF2A_2_A39_A21_r0_2-QUICO_ATM_GAFF2_NAGL_hif2a_2-4-6-RND1597_0 |
| Workunit | 31570761 |
| Created | 18 Apr 2026, 21:32:27 UTC |
| Sent | 18 Apr 2026, 21:32:32 UTC |
| Report deadline | 23 Apr 2026, 21:32:32 UTC |
| Received | 18 Apr 2026, 23:49:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649774 |
| Run time | 2 hours 15 min 28 sec |
| CPU time | 2 hours 11 min 1 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 | 462.70 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>
15:33:22 (3764): wrapper (7.9.26016): starting
15:33:22 (3764): 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
15:33:23 (3764): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:33:23 (3764): 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
17:48:53 (3764): C:/Windows/system32/cmd.exe exited; CPU time 7861.359375
17:48:53 (3764): 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: 106934717 bytes.
Dumping objects ->
{3835592} normal block at 0x0000024CB8E04670, 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 0x0000024CB6FE52D0, 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 0x0000024CB6FE51F0, 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 0x0000024CB6FE5110, 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 0x0000024CB6FE5180, 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 0x0000024CB8D76690, 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 0x0000024CB8D8F210, 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 0x0000024CB6FDDCC0, 8 bytes long.
Data: < L·L > 00 00 4C B7 4C 02 00 00
{3834709} normal block at 0x0000024CB8D8F420, 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 0x0000024CB6FDD860, 8 bytes long.
Data: <@Ùü¶L > 40 D9 FC B6 4C 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024CB6FD0A80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024CB6FD1B20, 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 0x0000024CB6FE6440, 16 bytes long.
Data: <¸nþ¶L > B8 6E FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024CB6FE66C0, 16 bytes long.
Data: < nþ¶L > 90 6E FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024CB6FE02F0, 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 0x0000024CB6FE63F0, 16 bytes long.
Data: <hnþ¶L > 68 6E FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024CB6FE6170, 16 bytes long.
Data: <@nþ¶L > 40 6E FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024CB6FE60D0, 16 bytes long.
Data: < nþ¶L > 18 6E FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024CB6FE6AD0, 16 bytes long.
Data: <ðmþ¶L > F0 6D FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024CB6FE5420, 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 0x0000024CB6FE6080, 16 bytes long.
Data: <hôü¶L > 68 F4 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024CB6FDF7B0, 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 0x0000024CB6FE6530, 16 bytes long.
Data: <@ôü¶L > 40 F4 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024CB6FE63A0, 16 bytes long.
Data: < ôü¶L > 18 F4 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024CB6FE6350, 16 bytes long.
Data: <ðóü¶L > F0 F3 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024CB6FE69E0, 16 bytes long.
Data: <Èóü¶L > C8 F3 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024CB6FE5CC0, 16 bytes long.
Data: < óü¶L > A0 F3 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024CB6FE5F40, 16 bytes long.
Data: <xóü¶L > 78 F3 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024CB6FDFF30, 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 0x0000024CB6FE6A80, 16 bytes long.
Data: <Póü¶L > 50 F3 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024CB6FCF350, 320 bytes long.
Data: < jþ¶L 0ÿý¶L > 80 6A FE B6 4C 02 00 00 30 FF FD B6 4C 02 00 00
{274} normal block at 0x0000024CB6FE6120, 16 bytes long.
Data: <Ðmþ¶L > D0 6D FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024CB6FE6210, 16 bytes long.
Data: <¨mþ¶L > A8 6D FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024CB6FE0050, 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 0x0000024CB6FE61C0, 16 bytes long.
Data: < mþ¶L > 80 6D FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024CB6FE01D0, 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 0x0000024CB6FE5EF0, 16 bytes long.
Data: <Èlþ¶L > C8 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024CB6FE5E50, 16 bytes long.
Data: < lþ¶L > A0 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024CB6FE6260, 16 bytes long.
Data: <xlþ¶L > 78 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024CB6FE5E00, 16 bytes long.
Data: <Plþ¶L > 50 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024CB6FE62B0, 16 bytes long.
Data: <(lþ¶L > 28 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024CB6FE5EA0, 16 bytes long.
Data: < lþ¶L > 00 6C FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024CB6FE5F90, 16 bytes long.
Data: <àUþ¶L > E0 55 FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024CB6FE55E0, 40 bytes long.
Data: < _þ¶L f׸L > 90 5F FE B6 4C 02 00 00 90 66 D7 B8 4C 02 00 00
{260} normal block at 0x0000024CB6FE6850, 16 bytes long.
Data: <àkþ¶L > E0 6B FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024CB6FE5FE0, 16 bytes long.
Data: <¸kþ¶L > B8 6B FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024CB6FDFC90, 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 0x0000024CB6FE6030, 16 bytes long.
Data: < kþ¶L > 90 6B FE B6 4C 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000024CB6FE6B90, 992 bytes long.
Data: <0`þ¶L üý¶L > 30 60 FE B6 4C 02 00 00 90 FC FD B6 4C 02 00 00
{92} normal block at 0x0000024CB6FDFC30, 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 0x0000024CB6FDDD10, 16 bytes long.
Data: <°Èü¶L > B0 C8 FC B6 4C 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000024CB6FCC8B0, 40 bytes long.
Data: < Ýý¶L 0üý¶L > 10 DD FD B6 4C 02 00 00 30 FC FD B6 4C 02 00 00
{69} normal block at 0x0000024CB6FDDAE0, 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 0x0000024CB6FDE260, 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 0x0000024CB6FDDF40, 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 0x0000024CB6FDD4A0, 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 0x0000024CB6FDE2B0, 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 0x0000024CB6FDE170, 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 0x0000024CB6FDD450, 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 0x0000024CB6FDDEF0, 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 0x0000024CB6FDDB80, 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 0x0000024CB6FDD5E0, 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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