Task 38623646
| Name | HIF2A_2_A20_A19_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a_2-2-6-RND1820_1 |
| Workunit | 31574222 |
| Created | 21 Apr 2026, 18:53:34 UTC |
| Sent | 21 Apr 2026, 18:53:39 UTC |
| Report deadline | 26 Apr 2026, 18:53:39 UTC |
| Received | 22 Apr 2026, 8:04:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651995 |
| Run time | 4 hours 6 min 55 sec |
| CPU time | 3 hours 30 min 2 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 23,189.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 508.86 MB |
| Peak swap size | 12.65 GB |
| Peak disk usage | 2.89 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:58:08 (29452): wrapper (7.9.26016): starting
05:58:08 (29452): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A19_0.pdb
QB_A20_A19_0.xml
QB_A20_A19.inpcrd
QB_A20_A19_input.yaml
QB_A20_A19.pdb
QB_A20_A19.prmtop
QB_A20_A19_sys.xml
run.bat
run.sh
05:58:09 (29452): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:58:09 (29452): 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:\Boinc\004\slots\1\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:\Boinc\004\slots\1\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
10:04:15 (29452): C:/Windows/system32/cmd.exe exited; CPU time 12602.312500
10:04:15 (29452): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 437682399 bytes.
Dumping objects ->
{3835538} normal block at 0x000001B25F227210, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835527} normal block at 0x000001B260F53900, 32 bytes long.
Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835516} normal block at 0x000001B260F534E0, 32 bytes long.
Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34
{3835505} normal block at 0x000001B260F53240, 32 bytes long.
Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835494} normal block at 0x000001B260F52640, 32 bytes long.
Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C
{3835463} normal block at 0x000001B25F227520, 48 bytes long.
Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30
{3835452} normal block at 0x000001B25F27CB60, 140 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) : {3835449} normal block at 0x000001B25F21F360, 8 bytes long.
Data: < _² > 00 00 1C 5F B2 01 00 00
{3834673} normal block at 0x000001B25F27D790, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833945} normal block at 0x000001B25F21F6D0, 8 bytes long.
Data: <ÀÕ _² > C0 D5 20 5F B2 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B25F210710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B25F2122F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000001B25F227D20, 16 bytes long.
Data: <Ø!"_² > D8 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B25F227960, 16 bytes long.
Data: <°!"_² > B0 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B25F222B40, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000001B25F2284F0, 16 bytes long.
Data: < !"_² > 88 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B25F228040, 16 bytes long.
Data: <`!"_² > 60 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B25F227FF0, 16 bytes long.
Data: <8!"_² > 38 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B25F227EB0, 16 bytes long.
Data: < !"_² > 10 21 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B25F227590, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000001B25F2278C0, 16 bytes long.
Data: <Øì _² > D8 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B25F2227E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000001B25F2284A0, 16 bytes long.
Data: <°ì _² > B0 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B25F227780, 16 bytes long.
Data: < ì _² > 88 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B25F227C30, 16 bytes long.
Data: <`ì _² > 60 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B25F228630, 16 bytes long.
Data: <8ì _² > 38 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B25F228450, 16 bytes long.
Data: < ì _² > 10 EC 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B25F227E60, 16 bytes long.
Data: <èë _² > E8 EB 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B25F223200, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000001B25F2279B0, 16 bytes long.
Data: <Àë _² > C0 EB 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B25F20EBC0, 320 bytes long.
Data: <°y"_² 2"_² > B0 79 22 5F B2 01 00 00 00 32 22 5F B2 01 00 00
{268} normal block at 0x000001B25F227F00, 16 bytes long.
Data: <ð "_² > F0 20 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B25F228400, 16 bytes long.
Data: <È "_² > C8 20 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B25F222D80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000001B25F228310, 16 bytes long.
Data: <  "_² > A0 20 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B25F222E40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000001B25F227AF0, 16 bytes long.
Data: <è "_² > E8 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B25F2283B0, 16 bytes long.
Data: <À "_² > C0 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B25F227F50, 16 bytes long.
Data: < "_² > 98 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B25F228270, 16 bytes long.
Data: <p "_² > 70 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B25F228360, 16 bytes long.
Data: <H "_² > 48 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B25F227BE0, 16 bytes long.
Data: < "_² > 20 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B25F228180, 16 bytes long.
Data: < r"_² > 80 72 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B25F227280, 40 bytes long.
Data: < "_² u"_² > 80 81 22 5F B2 01 00 00 20 75 22 5F B2 01 00 00
{254} normal block at 0x000001B25F2285E0, 16 bytes long.
Data: < "_² > 00 1F 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B25F2280E0, 16 bytes long.
Data: <Ø "_² > D8 1E 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B25F223380, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000001B25F227E10, 16 bytes long.
Data: <° "_² > B0 1E 22 5F B2 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001B25F221EB0, 992 bytes long.
Data: < ~"_² 3"_² > 10 7E 22 5F B2 01 00 00 80 33 22 5F B2 01 00 00
{86} normal block at 0x000001B25F223260, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000001B25F21F720, 16 bytes long.
Data: <0Å _² > 30 C5 20 5F B2 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001B25F20C530, 40 bytes long.
Data: < ÷!_² `2"_² > 20 F7 21 5F B2 01 00 00 60 32 22 5F B2 01 00 00
{63} normal block at 0x000001B25F21F8B0, 16 bytes long.
Data: < ê0Ÿö > 80 EA 30 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B25F21F2C0, 16 bytes long.
Data: <@é0Ÿö > 40 E9 30 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B25F21FA90, 16 bytes long.
Data: <øW-Ÿö > F8 57 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B25F21FB80, 16 bytes long.
Data: <ØW-Ÿö > D8 57 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B25F21F590, 16 bytes long.
Data: <P -Ÿö > 50 04 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B25F21F3B0, 16 bytes long.
Data: <0 -Ÿö > 30 04 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B25F21FD60, 16 bytes long.
Data: <à -Ÿö > E0 02 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B25F21F4F0, 16 bytes long.
Data: < -Ÿö > 10 04 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B25F21F810, 16 bytes long.
Data: <p -Ÿö > 70 04 2D 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B25F21F450, 16 bytes long.
Data: < À+Ÿö > 18 C0 2B 9F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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