Task 38649162
| Name | test_130-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND3513_0 |
| Workunit | 31593830 |
| Created | 23 Oct 2026, 21:02:05 UTC |
| Sent | 23 Oct 2026, 21:32:57 UTC |
| Report deadline | 28 Oct 2026, 21:32:57 UTC |
| Received | 23 Oct 2026, 22:40:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654777 |
| Run time | 42 min 23 sec |
| CPU time | 38 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,774.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.20 MB |
| Peak swap size | 13.05 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:58:45 (14792): wrapper (7.9.26016): starting
22:58:45 (14792): 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
22:58:47 (14792): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:58:47 (14792): 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\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:\ProgramData\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
23:39:45 (14792): C:/Windows/system32/cmd.exe exited; CPU time 2322.984375
23:39:45 (14792): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 30327451 bytes.
Dumping objects ->
{3835236} normal block at 0x0000018EC7CB9540, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x0000018EC7CB8BA0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x0000018EC7CB8F90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835203} normal block at 0x0000018EC5FE4DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000018EC5FE4C80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835161} normal block at 0x0000018EC7CCB200, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x0000018EC603C280, 141 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) : {3835147} normal block at 0x0000018EC5FDE970, 8 bytes long.
Data: < øÅŽ > 00 00 F8 C5 8E 01 00 00
{3834546} normal block at 0x0000018EC603B990, 141 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 0x0000018EC5FDF3C0, 8 bytes long.
Data: < YÒÇŽ > A0 59 D2 C7 8E 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018EC5FE0CB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018EC5FD5ED0, 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 0x0000018EC5FE55B0, 16 bytes long.
Data: <ÈeþÅŽ > C8 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018EC5FE5510, 16 bytes long.
Data: < eþÅŽ > A0 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000018EC5FE0580, 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 0x0000018EC5FE5560, 16 bytes long.
Data: <xeþÅŽ > 78 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018EC5FE5DD0, 16 bytes long.
Data: <PeþÅŽ > 50 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018EC5FE58D0, 16 bytes long.
Data: <(eþÅŽ > 28 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018EC5FE54C0, 16 bytes long.
Data: < eþÅŽ > 00 65 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018EC5FE4740, 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 0x0000018EC5FE5470, 16 bytes long.
Data: <èµüÅŽ > E8 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018EC5FDFA40, 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 0x0000018EC5FE5F10, 16 bytes long.
Data: <ÀµüÅŽ > C0 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000018EC5FE5B00, 16 bytes long.
Data: < µüÅŽ > 98 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018EC5FE5650, 16 bytes long.
Data: <pµüÅŽ > 70 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018EC5FE5A10, 16 bytes long.
Data: <HµüÅŽ > 48 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000018EC5FE5740, 16 bytes long.
Data: < µüÅŽ > 20 B5 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018EC5FE5EC0, 16 bytes long.
Data: <ø´üÅŽ > F8 B4 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000018EC5FDF8C0, 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 0x0000018EC5FE5380, 16 bytes long.
Data: <дüÅŽ > D0 B4 FC C5 8E 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018EC5FCB4D0, 320 bytes long.
Data: < SþÅŽ ÀøýÅŽ > 80 53 FE C5 8E 01 00 00 C0 F8 FD C5 8E 01 00 00
{276} normal block at 0x0000018EC5FE6230, 16 bytes long.
Data: <àdþÅŽ > E0 64 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018EC5FE53D0, 16 bytes long.
Data: <¸dþÅŽ > B8 64 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018EC5FDFC80, 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 0x0000018EC5FE5330, 16 bytes long.
Data: < dþÅŽ > 90 64 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018EC5FE0460, 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 0x0000018EC5FE59C0, 16 bytes long.
Data: <ØcþÅŽ > D8 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000018EC5FE5AB0, 16 bytes long.
Data: <°cþÅŽ > B0 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018EC5FE5A60, 16 bytes long.
Data: < cþÅŽ > 88 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018EC5FE5880, 16 bytes long.
Data: <`cþÅŽ > 60 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000018EC5FE5B50, 16 bytes long.
Data: <8cþÅŽ > 38 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018EC5FE5830, 16 bytes long.
Data: < cþÅŽ > 10 63 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000018EC5FE6140, 16 bytes long.
Data: < HþÅŽ > 20 48 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000018EC5FE4820, 40 bytes long.
Data: <@aþÅŽ ²ÌÇŽ > 40 61 FE C5 8E 01 00 00 00 B2 CC C7 8E 01 00 00
{262} normal block at 0x0000018EC5FE5BA0, 16 bytes long.
Data: <ðbþÅŽ > F0 62 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000018EC5FE5970, 16 bytes long.
Data: <ÈbþÅŽ > C8 62 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000018EC5FDFDA0, 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 0x0000018EC5FE5C40, 16 bytes long.
Data: < bþÅŽ > A0 62 FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000018EC5FE62A0, 992 bytes long.
Data: <@\þÅŽ  ýýÅŽ > 40 5C FE C5 8E 01 00 00 A0 FD FD C5 8E 01 00 00
{94} normal block at 0x0000018EC5FDFD40, 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 0x0000018EC5FDEE20, 16 bytes long.
Data: < KþÅŽ > A0 4B FE C5 8E 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000018EC5FE4BA0, 40 bytes long.
Data: < îýÅŽ @ýýÅŽ > 20 EE FD C5 8E 01 00 00 40 FD FD C5 8E 01 00 00
{71} normal block at 0x0000018EC5FDF230, 16 bytes long.
Data: < ê ¼ö > 80 EA 10 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018EC5FDEBA0, 16 bytes long.
Data: <@é ¼ö > 40 E9 10 BC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018EC5FDF690, 16 bytes long.
Data: <øW ¼ö > F8 57 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018EC5FDF5A0, 16 bytes long.
Data: <ØW ¼ö > D8 57 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000018EC5FDE830, 16 bytes long.
Data: <P ¼ö > 50 04 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000018EC5FDF6E0, 16 bytes long.
Data: <0 ¼ö > 30 04 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000018EC5FDF410, 16 bytes long.
Data: <à ¼ö > E0 02 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000018EC5FDE7E0, 16 bytes long.
Data: < ¼ö > 10 04 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000018EC5FDE880, 16 bytes long.
Data: <p ¼ö > 70 04 0D BC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000018EC5FDEAB0, 16 bytes long.
Data: < À ¼ö > 18 C0 0B BC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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