Task 38673985
| Name | test_25-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7845_0 |
| Workunit | 31616039 |
| Created | 26 Oct 2026, 3:59:21 UTC |
| Sent | 26 Oct 2026, 3:59:30 UTC |
| Report deadline | 31 Oct 2026, 3:59:30 UTC |
| Received | 26 Oct 2026, 5:05:25 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654134 |
| Run time | 45 min |
| CPU time | 41 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,827.62 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 577.15 MB |
| Peak swap size | 6.89 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:20:31 (14888): wrapper (7.9.26016): starting
22:20:31 (14888): 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
22:20:35 (14888): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:20:35 (14888): 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
23:04:10 (14888): C:/Windows/system32/cmd.exe exited; CPU time 2470.171875
23:04:10 (14888): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 61303015 bytes.
Dumping objects ->
{3835490} normal block at 0x000001DDBFB65950, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x000001DDBFB65870, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835468} normal block at 0x000001DDBFB65800, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835457} normal block at 0x000001DDBFB656B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835446} normal block at 0x000001DDBFB653A0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835415} normal block at 0x000001DDC1835840, 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) : {3835402} normal block at 0x000001DDBFB5DD70, 8 bytes long.
Data: < ÀÝ > 00 00 18 C0 DD 01 00 00
{3833961} normal block at 0x000001DDBFB5E810, 8 bytes long.
Data: < M¶¿Ý > 00 4D B6 BF DD 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DDBFB61D80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DDBFB56790, 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 0x000001DDBFB66920, 16 bytes long.
Data: <¸q¶¿Ý > B8 71 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DDBFB65F70, 16 bytes long.
Data: < q¶¿Ý > 90 71 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DDBFB5FB90, 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 0x000001DDBFB65F20, 16 bytes long.
Data: <hq¶¿Ý > 68 71 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DDBFB666A0, 16 bytes long.
Data: <@q¶¿Ý > 40 71 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DDBFB66CE0, 16 bytes long.
Data: < q¶¿Ý > 18 71 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DDBFB66100, 16 bytes long.
Data: <ðp¶¿Ý > F0 70 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DDBFB65480, 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 0x000001DDBFB660B0, 16 bytes long.
Data: <¨ê´¿Ý > A8 EA B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DDBFB5F8F0, 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 0x000001DDBFB66B00, 16 bytes long.
Data: < ê´¿Ý > 80 EA B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DDBFB65ED0, 16 bytes long.
Data: <Xê´¿Ý > 58 EA B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DDBFB66BF0, 16 bytes long.
Data: <0ê´¿Ý > 30 EA B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DDBFB66060, 16 bytes long.
Data: < ê´¿Ý > 08 EA B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DDBFB66650, 16 bytes long.
Data: <àé´¿Ý > E0 E9 B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DDBFB66A10, 16 bytes long.
Data: <¸é´¿Ý > B8 E9 B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DDBFB5FDD0, 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 0x000001DDBFB66BA0, 16 bytes long.
Data: < é´¿Ý > 90 E9 B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DDBFB4E990, 320 bytes long.
Data: < k¶¿Ý Ðýµ¿Ý > A0 6B B6 BF DD 01 00 00 D0 FD B5 BF DD 01 00 00
{276} normal block at 0x000001DDBFB66C40, 16 bytes long.
Data: <Ðp¶¿Ý > D0 70 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DDBFB66010, 16 bytes long.
Data: <¨p¶¿Ý > A8 70 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DDBFB60190, 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 0x000001DDBFB66A60, 16 bytes long.
Data: < p¶¿Ý > 80 70 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DDBFB60490, 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 0x000001DDBFB664C0, 16 bytes long.
Data: <Èo¶¿Ý > C8 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DDBFB66330, 16 bytes long.
Data: < o¶¿Ý > A0 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DDBFB66B50, 16 bytes long.
Data: <xo¶¿Ý > 78 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DDBFB66DD0, 16 bytes long.
Data: <Po¶¿Ý > 50 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DDBFB661A0, 16 bytes long.
Data: <(o¶¿Ý > 28 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DDBFB66240, 16 bytes long.
Data: < o¶¿Ý > 00 6F B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DDBFB66D80, 16 bytes long.
Data: <@V¶¿Ý > 40 56 B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DDBFB65640, 40 bytes long.
Data: < m¶¿Ý @XƒÁÝ > 80 6D B6 BF DD 01 00 00 40 58 83 C1 DD 01 00 00
{262} normal block at 0x000001DDBFB66510, 16 bytes long.
Data: <àn¶¿Ý > E0 6E B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DDBFB66290, 16 bytes long.
Data: <¸n¶¿Ý > B8 6E B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DDBFB5F890, 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 0x000001DDBFB662E0, 16 bytes long.
Data: < n¶¿Ý > 90 6E B6 BF DD 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DDBFB66E90, 992 bytes long.
Data: <àb¶¿Ý øµ¿Ý > E0 62 B6 BF DD 01 00 00 90 F8 B5 BF DD 01 00 00
{94} normal block at 0x000001DDBFB605B0, 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 0x000001DDBFB5E720, 16 bytes long.
Data: < ø´¿Ý > 10 F8 B4 BF DD 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001DDBFB4F810, 40 bytes long.
Data: < çµ¿Ý ° ¶¿Ý > 20 E7 B5 BF DD 01 00 00 B0 05 B6 BF DD 01 00 00
{71} normal block at 0x000001DDBFB5E1D0, 16 bytes long.
Data: < ê 3÷ > 80 EA 88 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DDBFB5DC80, 16 bytes long.
Data: <@é 3÷ > 40 E9 88 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DDBFB5DF00, 16 bytes long.
Data: <øW…3÷ > F8 57 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DDBFB5D9B0, 16 bytes long.
Data: <ØW…3÷ > D8 57 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DDBFB5E400, 16 bytes long.
Data: <P …3÷ > 50 04 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001DDBFB5DAF0, 16 bytes long.
Data: <0 …3÷ > 30 04 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001DDBFB5E7C0, 16 bytes long.
Data: <à …3÷ > E0 02 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001DDBFB5E5E0, 16 bytes long.
Data: < …3÷ > 10 04 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001DDBFB5E900, 16 bytes long.
Data: <p …3÷ > 70 04 85 33 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001DDBFB5DDC0, 16 bytes long.
Data: < Àƒ3÷ > 18 C0 83 33 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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