Task 38673330
| Name | test_743-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND0875_0 |
| Workunit | 31615417 |
| Created | 26 Oct 2026, 2:06:44 UTC |
| Sent | 26 Oct 2026, 2:06:47 UTC |
| Report deadline | 31 Oct 2026, 2:06:47 UTC |
| Received | 26 Oct 2026, 3:24:37 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 640482 |
| Run time | 59 min 56 sec |
| CPU time | 57 min 59 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,524.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.96 MB |
| Peak swap size | 6.53 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
22:24:51 (16912): wrapper (7.9.26016): starting
22:24:51 (16912): 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
22:24:54 (16912): Library/usr/bin/tar.exe exited; CPU time 50.953125
22:24:54 (16912): 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\24\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\24\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
23:23:51 (16912): C:/Windows/system32/cmd.exe exited; CPU time 3428.343750
23:23:51 (16912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 57344169 bytes.
Dumping objects ->
{3835319} normal block at 0x0000025271E20E60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835308} normal block at 0x0000025271E21100, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835297} normal block at 0x0000025271E20920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835286} normal block at 0x0000025271E20DF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835275} normal block at 0x0000025271E213A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835244} normal block at 0x0000025271F1DDA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835231} normal block at 0x0000025270224A60, 8 bytes long.
Data: < pR > 00 00 81 70 52 02 00 00
{3833951} normal block at 0x00000252702250A0, 8 bytes long.
Data: <ðæâqR > F0 E6 E2 71 52 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002527021D740, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025270215250, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002527022A5E0, 16 bytes long.
Data: <È®"pR > C8 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025270229D20, 16 bytes long.
Data: < ®"pR > A0 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025270225940, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002527022A400, 16 bytes long.
Data: <x®"pR > 78 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002527022A810, 16 bytes long.
Data: <P®"pR > 50 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002527022A9A0, 16 bytes long.
Data: <(®"pR > 28 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025270229C80, 16 bytes long.
Data: < ®"pR > 00 AE 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025270223090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002527022A270, 16 bytes long.
Data: <Xê!pR > 58 EA 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025270225820, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002527022A450, 16 bytes long.
Data: <0ê!pR > 30 EA 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002527022AAE0, 16 bytes long.
Data: < ê!pR > 08 EA 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025270229FF0, 16 bytes long.
Data: <àé!pR > E0 E9 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025270229BE0, 16 bytes long.
Data: <¸é!pR > B8 E9 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002527022A4A0, 16 bytes long.
Data: < é!pR > 90 E9 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002527022AA40, 16 bytes long.
Data: <hé!pR > 68 E9 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025270225C40, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002527022A8B0, 16 bytes long.
Data: <@é!pR > 40 E9 21 70 52 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002527021E940, 320 bytes long.
Data: <°¨"pR @\"pR > B0 A8 22 70 52 02 00 00 40 5C 22 70 52 02 00 00
{271} normal block at 0x000002527022A040, 16 bytes long.
Data: <à­"pR > E0 AD 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002527022A130, 16 bytes long.
Data: <¸­"pR > B8 AD 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000252702252E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002527022A9F0, 16 bytes long.
Data: < ­"pR > 90 AD 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025270225B20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002527022A220, 16 bytes long.
Data: <ج"pR > D8 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025270229F00, 16 bytes long.
Data: <°¬"pR > B0 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025270229CD0, 16 bytes long.
Data: < ¬"pR > 88 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002527022A310, 16 bytes long.
Data: <`¬"pR > 60 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002527022A900, 16 bytes long.
Data: <8¬"pR > 38 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002527022A090, 16 bytes long.
Data: < ¬"pR > 10 AC 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002527022A6D0, 16 bytes long.
Data: <`5"pR > 60 35 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025270223560, 40 bytes long.
Data: <Ц"pR  ÝñqR > D0 A6 22 70 52 02 00 00 A0 DD F1 71 52 02 00 00
{257} normal block at 0x000002527022AB30, 16 bytes long.
Data: <ð«"pR > F0 AB 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002527022A3B0, 16 bytes long.
Data: <È«"pR > C8 AB 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000025270225520, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002527022A540, 16 bytes long.
Data: < «"pR > A0 AB 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002527022ABA0, 992 bytes long.
Data: <@¥"pR U"pR > 40 A5 22 70 52 02 00 00 20 55 22 70 52 02 00 00
{89} normal block at 0x0000025270225AC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x0000025270224790, 16 bytes long.
Data: <°6"pR > B0 36 22 70 52 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x00000252702236B0, 40 bytes long.
Data: < G"pR ÀZ"pR > 90 47 22 70 52 02 00 00 C0 5A 22 70 52 02 00 00
{66} normal block at 0x0000025270224740, 16 bytes long.
Data: < êqÎ÷ > 80 EA 71 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025270224AB0, 16 bytes long.
Data: <@éqÎ÷ > 40 E9 71 CE F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000252702247E0, 16 bytes long.
Data: <øWnÎ÷ > F8 57 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025270224D30, 16 bytes long.
Data: <ØWnÎ÷ > D8 57 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025270225050, 16 bytes long.
Data: <P nÎ÷ > 50 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000252702244C0, 16 bytes long.
Data: <0 nÎ÷ > 30 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000252702248D0, 16 bytes long.
Data: <à nÎ÷ > E0 02 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025270224E70, 16 bytes long.
Data: < nÎ÷ > 10 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000025270224B00, 16 bytes long.
Data: <p nÎ÷ > 70 04 6E CE F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000252702249C0, 16 bytes long.
Data: < ÀlÎ÷ > 18 C0 6C CE F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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