Task 38689169
| Name | test_721-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5509_2 |
| Workunit | 31630146 |
| Created | 28 Oct 2026, 18:55:42 UTC |
| Sent | 28 Oct 2026, 18:55:48 UTC |
| Report deadline | 2 Nov 2026, 18:55:48 UTC |
| Received | 28 Oct 2026, 19:24:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641444 |
| Run time | 28 min 32 sec |
| CPU time | 24 min 48 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.29 MB |
| Peak swap size | 5.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:57:11 (34748): wrapper (7.9.26016): starting
19:57:11 (34748): 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
19:57:15 (34748): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:57:15 (34748): 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 'D:\Boinc\slots\7\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 'D:\Boinc\slots\7\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
20:24:27 (34748): C:/Windows/system32/cmd.exe exited; CPU time 1488.828125
20:24:27 (34748): 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: 33554253 bytes.
Dumping objects ->
{3835502} normal block at 0x00000188B1008A60, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835491} normal block at 0x00000188B2D11210, 32 bytes long.
Data: <HOME=D:\Boinc\sl> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835480} normal block at 0x00000188B2D117B0, 32 bytes long.
Data: <TMP=D:\Boinc\slo> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3835469} normal block at 0x00000188B2D11630, 32 bytes long.
Data: <TEMP=D:\Boinc\sl> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
{3835458} normal block at 0x00000188B2D10850, 32 bytes long.
Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C
{3835427} normal block at 0x00000188B1008DE0, 48 bytes long.
Data: <PATH=D:\Boinc\sl> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3835414} normal block at 0x00000188B0FDCBD0, 8 bytes long.
Data: < ^± > 00 00 5E B1 88 01 00 00
{3833969} normal block at 0x00000188B0FDD2B0, 8 bytes long.
Data: <`ã½² > 60 E3 BD B2 88 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000188B0FE1D20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000188B0FD5950, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x00000188B0FE51E0, 16 bytes long.
Data: <èbþ° > E8 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000188B0FE50F0, 16 bytes long.
Data: <Àbþ° > C0 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000188B0FDF220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x00000188B0FE5190, 16 bytes long.
Data: < bþ° > 98 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000188B0FE5780, 16 bytes long.
Data: <pbþ° > 70 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000188B0FE5B40, 16 bytes long.
Data: <Hbþ° > 48 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000188B0FE5050, 16 bytes long.
Data: < bþ° > 20 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000188B0FDF8B0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x00000188B0FE5F50, 16 bytes long.
Data: <(öü° > 28 F6 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000188B0FDF100, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x00000188B0FE5690, 16 bytes long.
Data: < öü° > 00 F6 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000188B0FE52D0, 16 bytes long.
Data: <Øõü° > D8 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000188B0FE5F00, 16 bytes long.
Data: <°õü° > B0 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000188B0FE5C80, 16 bytes long.
Data: < õü° > 88 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000188B0FE5EB0, 16 bytes long.
Data: <`õü° > 60 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000188B0FE5730, 16 bytes long.
Data: <8õü° > 38 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000188B0FDEE00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x00000188B0FE5E60, 16 bytes long.
Data: < õü° > 10 F5 FC B0 88 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000188B0FCF510, 320 bytes long.
Data: <`^þ° îý° > 60 5E FE B0 88 01 00 00 00 EE FD B0 88 01 00 00
{280} normal block at 0x00000188B0FE5320, 16 bytes long.
Data: < bþ° > 00 62 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000188B0FE5AF0, 16 bytes long.
Data: <Øaþ° > D8 61 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000188B0FDF340, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x00000188B0FE5E10, 16 bytes long.
Data: <°aþ° > B0 61 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000188B0FDE5C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x00000188B0FE5AA0, 16 bytes long.
Data: <ø`þ° > F8 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000188B0FE5D20, 16 bytes long.
Data: <Ð`þ° > D0 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000188B0FE5280, 16 bytes long.
Data: <¨`þ° > A8 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000188B0FE5550, 16 bytes long.
Data: < `þ° > 80 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000188B0FE5140, 16 bytes long.
Data: <X`þ° > 58 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000188B0FE58C0, 16 bytes long.
Data: <0`þ° > 30 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000188B0FE5370, 16 bytes long.
Data: <@øý° > 40 F8 FD B0 88 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000188B0FDF840, 40 bytes long.
Data: <pSþ° à ± > 70 53 FE B0 88 01 00 00 E0 8D 00 B1 88 01 00 00
{266} normal block at 0x00000188B0FE5DC0, 16 bytes long.
Data: < `þ° > 10 60 FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000188B0FE5000, 16 bytes long.
Data: <è_þ° > E8 5F FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000188B0FDE8C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x00000188B0FE5CD0, 16 bytes long.
Data: <À_þ° > C0 5F FE B0 88 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000188B0FE5FC0, 992 bytes long.
Data: <Ð\þ° Àèý° > D0 5C FE B0 88 01 00 00 C0 E8 FD B0 88 01 00 00
{98} normal block at 0x00000188B0FDEBC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x00000188B0FDCB80, 16 bytes long.
Data: <àúý° > E0 FA FD B0 88 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000188B0FDFAE0, 40 bytes long.
Data: < Ëý° Àëý° > 80 CB FD B0 88 01 00 00 C0 EB FD B0 88 01 00 00
{75} normal block at 0x00000188B0FDD850, 16 bytes long.
Data: < êâ•÷ > 80 EA E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000188B0FDD530, 16 bytes long.
Data: <@éâ•÷ > 40 E9 E2 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000188B0FDD0D0, 16 bytes long.
Data: <øWß•÷ > F8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000188B0FDD4E0, 16 bytes long.
Data: <ØWß•÷ > D8 57 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000188B0FDCD60, 16 bytes long.
Data: <P ß•÷ > 50 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000188B0FDD800, 16 bytes long.
Data: <0 ß•÷ > 30 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000188B0FDD6C0, 16 bytes long.
Data: <à ß•÷ > E0 02 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000188B0FDD7B0, 16 bytes long.
Data: < ß•÷ > 10 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000188B0FDD1C0, 16 bytes long.
Data: <p ß•÷ > 70 04 DF 95 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000188B0FDD490, 16 bytes long.
Data: < ÀÝ•÷ > 18 C0 DD 95 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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