Task 38675517
| Name | test_25-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7845_0 |
| Workunit | 31617484 |
| Created | 26 Oct 2026, 8:31:28 UTC |
| Sent | 26 Oct 2026, 8:31:29 UTC |
| Report deadline | 31 Oct 2026, 8:31:29 UTC |
| Received | 26 Oct 2026, 12:46:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654946 |
| Run time | 59 min 58 sec |
| CPU time | 58 min 51 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,147.61 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 679.46 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:38:18 (5132): wrapper (7.9.26016): starting
12:38:18 (5132): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
12:38:19 (5132): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:38:19 (5132): 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\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:\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
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
13:37:18 (5132): C:/Windows/system32/cmd.exe exited; CPU time 3531.531250
13:37:18 (5132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 47947153 bytes.
Dumping objects ->
{3835464} normal block at 0x00000280E8264530, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{3835453} normal block at 0x00000280E9F687D0, 32 bytes long.
Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{3835442} normal block at 0x00000280E9F68770, 32 bytes long.
Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F
{3835431} normal block at 0x00000280E9F686B0, 32 bytes long.
Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{3835420} normal block at 0x00000280E9F691F0, 32 bytes long.
Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C
{3835389} normal block at 0x00000280E82644C0, 48 bytes long.
Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C
{3835378} normal block at 0x00000280E9F300D0, 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) : {3835375} normal block at 0x00000280E8260CC0, 8 bytes long.
Data: < è > 00 00 1E E8 80 02 00 00
{3834659} normal block at 0x00000280E9F30910, 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 0x00000280E82603B0, 8 bytes long.
Data: <`ê3è > 60 EA 33 E8 80 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000280E82565C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000280E82572C0, 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 0x00000280E8265BC0, 16 bytes long.
Data: <xP&è > 78 50 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000280E82655D0, 16 bytes long.
Data: <PP&è > 50 50 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000280E825F630, 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 0x00000280E82651C0, 16 bytes long.
Data: <(P&è > 28 50 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000280E8265FD0, 16 bytes long.
Data: < P&è > 00 50 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000280E8266070, 16 bytes long.
Data: <ØO&è > D8 4F 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000280E82653A0, 16 bytes long.
Data: <°O&è > B0 4F 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000280E8264760, 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 0x00000280E8265490, 16 bytes long.
Data: < ï%è > 08 EF 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000280E825F270, 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 0x00000280E8266110, 16 bytes long.
Data: <àî%è > E0 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000280E8265300, 16 bytes long.
Data: <¸î%è > B8 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000280E8265850, 16 bytes long.
Data: < î%è > 90 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000280E8265530, 16 bytes long.
Data: <hî%è > 68 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000280E8265580, 16 bytes long.
Data: <@î%è > 40 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000280E8265350, 16 bytes long.
Data: < î%è > 18 EE 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000280E825F210, 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 0x00000280E8265D50, 16 bytes long.
Data: <ðí%è > F0 ED 25 E8 80 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000280E825EDF0, 320 bytes long.
Data: <P]&è ò%è > 50 5D 26 E8 80 02 00 00 10 F2 25 E8 80 02 00 00
{276} normal block at 0x00000280E8265A80, 16 bytes long.
Data: < O&è > 90 4F 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000280E8265B70, 16 bytes long.
Data: <hO&è > 68 4F 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000280E825F990, 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 0x00000280E82657B0, 16 bytes long.
Data: <@O&è > 40 4F 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000280E825FED0, 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 0x00000280E82658F0, 16 bytes long.
Data: < N&è > 88 4E 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000280E82653F0, 16 bytes long.
Data: <`N&è > 60 4E 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000280E82654E0, 16 bytes long.
Data: <8N&è > 38 4E 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000280E8266020, 16 bytes long.
Data: < N&è > 10 4E 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000280E8265D00, 16 bytes long.
Data: <èM&è > E8 4D 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000280E8260130, 16 bytes long.
Data: <ÀM&è > C0 4D 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000280E8260EF0, 16 bytes long.
Data: < I&è > 20 49 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000280E8264920, 40 bytes long.
Data: <ð &è ÀD&è > F0 0E 26 E8 80 02 00 00 C0 44 26 E8 80 02 00 00
{262} normal block at 0x00000280E8260E50, 16 bytes long.
Data: < M&è > A0 4D 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000280E8260DB0, 16 bytes long.
Data: <xM&è > 78 4D 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000280E825FC30, 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 0x00000280E8260C20, 16 bytes long.
Data: <PM&è > 50 4D 26 E8 80 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000280E8264D50, 992 bytes long.
Data: < &è 0ü%è > 20 0C 26 E8 80 02 00 00 30 FC 25 E8 80 02 00 00
{94} normal block at 0x00000280E825F810, 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 0x00000280E8260950, 16 bytes long.
Data: <pÜ$è > 70 DC 24 E8 80 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000280E824DC70, 40 bytes long.
Data: <P &è ø%è > 50 09 26 E8 80 02 00 00 10 F8 25 E8 80 02 00 00
{71} normal block at 0x00000280E82607C0, 16 bytes long.
Data: < êw3ö > 80 EA 77 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000280E8260C70, 16 bytes long.
Data: <@éw3ö > 40 E9 77 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000280E8260EA0, 16 bytes long.
Data: <øWt3ö > F8 57 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000280E8260B80, 16 bytes long.
Data: <ØWt3ö > D8 57 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000280E8260770, 16 bytes long.
Data: <P t3ö > 50 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000280E8260590, 16 bytes long.
Data: <0 t3ö > 30 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000280E8260630, 16 bytes long.
Data: <à t3ö > E0 02 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000280E82608B0, 16 bytes long.
Data: < t3ö > 10 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000280E8260450, 16 bytes long.
Data: <p t3ö > 70 04 74 33 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000280E8260B30, 16 bytes long.
Data: < Àr3ö > 18 C0 72 33 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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