Task 38581516
| Name | HIF2A_A34_A38_r0_1-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND9404_0 |
| Workunit | 31546036 |
| Created | 12 Dec 2025, 10:50:52 UTC |
| Sent | 12 Dec 2025, 10:50:58 UTC |
| Report deadline | 17 Dec 2025, 10:50:58 UTC |
| Received | 12 Dec 2025, 17:33:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 604231 |
| Run time | 5 hours 36 min 14 sec |
| CPU time | 5 hours 36 min 14 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 82,584.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 489.82 MB |
| Peak swap size | 12.80 GB |
| Peak disk usage | 4.14 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:11:09 (29380): wrapper (7.9.26016): starting
05:11:09 (29380): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A38_0.pdb
QB_A34_A38_0.xml
QB_A34_A38_equil.pdb
QB_A34_A38.inpcrd
QB_A34_A38_input.yaml
QB_A34_A38_mdlambda.pdb
QB_A34_A38_min.pdb
QB_A34_A38_npt.pdb
QB_A34_A38.pdb
QB_A34_A38.prmtop
QB_A34_A38_sys.xml
QB_A34_A38_therm.pdb
run.bat
run.sh
05:11:10 (29380): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:11:10 (29380): 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 'M:\BOINC\slots\5\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 'M:\BOINC\slots\5\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
11:16:20 (29380): C:/Windows/system32/cmd.exe exited; CPU time 20255.656250
11:16:20 (29380): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 bytes in 6 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: 407193863 bytes.
Dumping objects ->
{3835538} normal block at 0x000001B0F3D04AE0, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835527} normal block at 0x000001B0F5A50D40, 32 bytes long.
Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835516} normal block at 0x000001B0F5A50800, 32 bytes long.
Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835505} normal block at 0x000001B0F5A50E00, 32 bytes long.
Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835494} normal block at 0x000001B0F5A4F780, 32 bytes long.
Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C
{3835463} normal block at 0x000001B0F3D04BC0, 48 bytes long.
Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835450} normal block at 0x000001B0F3CFDEB0, 8 bytes long.
Data: < Éó° > 00 00 C9 F3 B0 01 00 00
{3833967} normal block at 0x000001B0F3CFDD20, 8 bytes long.
Data: < ë‘õ° > 80 EB 91 F5 B0 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001B0F3CF0D20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B0F3CF1A00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001B0F3D06650, 16 bytes long.
Data: <(kÐó° > 28 6B D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B0F3D06100, 16 bytes long.
Data: < kÐó° > 00 6B D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B0F3D002F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001B0F3D060B0, 16 bytes long.
Data: <ØjÐó° > D8 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B0F3D066A0, 16 bytes long.
Data: <°jÐó° > B0 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B0F3D05FC0, 16 bytes long.
Data: < jÐó° > 88 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B0F3D06600, 16 bytes long.
Data: <`jÐó° > 60 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B0F3D04A70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001B0F3D06330, 16 bytes long.
Data: <( Ïó° > 28 08 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B0F3CFF930, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001B0F3D05C50, 16 bytes long.
Data: < Ïó° > 00 08 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B0F3D05C00, 16 bytes long.
Data: <Ø Ïó° > D8 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B0F3D06060, 16 bytes long.
Data: <° Ïó° > B0 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B0F3D05F70, 16 bytes long.
Data: < Ïó° > 88 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B0F3D05F20, 16 bytes long.
Data: <` Ïó° > 60 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B0F3D05AC0, 16 bytes long.
Data: <8 Ïó° > 38 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B0F3CFF690, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001B0F3D05B10, 16 bytes long.
Data: < Ïó° > 10 07 CF F3 B0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B0F3CF0710, 320 bytes long.
Data: < [Ðó° öÏó° > 10 5B D0 F3 B0 01 00 00 90 F6 CF F3 B0 01 00 00
{279} normal block at 0x000001B0F3D05B60, 16 bytes long.
Data: <@jÐó° > 40 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B0F3D05A20, 16 bytes long.
Data: < jÐó° > 18 6A D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B0F3CFF7B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001B0F3D05890, 16 bytes long.
Data: <ðiÐó° > F0 69 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B0F3D00290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001B0F3D059D0, 16 bytes long.
Data: <8iÐó° > 38 69 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B0F3D05E80, 16 bytes long.
Data: < iÐó° > 10 69 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B0F3D06290, 16 bytes long.
Data: <èhÐó° > E8 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B0F3D06740, 16 bytes long.
Data: <ÀhÐó° > C0 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B0F3D06380, 16 bytes long.
Data: < hÐó° > 98 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B0F3D06150, 16 bytes long.
Data: <phÐó° > 70 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B0F3D065B0, 16 bytes long.
Data: <0LÐó° > 30 4C D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B0F3D04C30, 40 bytes long.
Data: <°eÐó° ÀKÐó° > B0 65 D0 F3 B0 01 00 00 C0 4B D0 F3 B0 01 00 00
{265} normal block at 0x000001B0F3D063D0, 16 bytes long.
Data: <PhÐó° > 50 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B0F3D05ED0, 16 bytes long.
Data: <(hÐó° > 28 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B0F3CFF570, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001B0F3D062E0, 16 bytes long.
Data: < hÐó° > 00 68 D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B0F3D06800, 992 bytes long.
Data: <àbÐó° põÏó° > E0 62 D0 F3 B0 01 00 00 70 F5 CF F3 B0 01 00 00
{97} normal block at 0x000001B0F3D00110, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001B0F3CFDC30, 16 bytes long.
Data: <@OÐó° > 40 4F D0 F3 B0 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001B0F3D04F40, 40 bytes long.
Data: <0ÜÏó° Ðó° > 30 DC CF F3 B0 01 00 00 10 01 D0 F3 B0 01 00 00
{74} normal block at 0x000001B0F3CFE0E0, 16 bytes long.
Data: < êÑ®ö > 80 EA D1 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B0F3CFD910, 16 bytes long.
Data: <@éÑ®ö > 40 E9 D1 AE F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B0F3CFDA50, 16 bytes long.
Data: <øWήö > F8 57 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B0F3CFDFA0, 16 bytes long.
Data: <ØWήö > D8 57 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B0F3CFD820, 16 bytes long.
Data: <P 먚 > 50 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B0F3CFDB90, 16 bytes long.
Data: <0 먚 > 30 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B0F3CFD3C0, 16 bytes long.
Data: <à ήö > E0 02 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B0F3CFDCD0, 16 bytes long.
Data: < 먚 > 10 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B0F3CFD550, 16 bytes long.
Data: <p 먚 > 70 04 CE AE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B0F3CFDBE0, 16 bytes long.
Data: < ÀÌ®ö > 18 C0 CC AE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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