Task 38673827
| Name | test_590-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND1199_0 |
| Workunit | 31615889 |
| Created | 26 Oct 2026, 3:31:35 UTC |
| Sent | 26 Oct 2026, 3:31:52 UTC |
| Report deadline | 31 Oct 2026, 3:31:52 UTC |
| Received | 26 Oct 2026, 4:02:33 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605313 |
| Run time | 24 min 32 sec |
| CPU time | 22 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.14 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:44:06 (36900): wrapper (7.9.26016): starting
22:44:06 (36900): 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
22:44:07 (36900): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:44:07 (36900): 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
23:07:45 (36900): C:/Windows/system32/cmd.exe exited; CPU time 1347.109375
23:07:45 (36900): 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: 28683561 bytes.
Dumping objects ->
{3835221} normal block at 0x00000255BF6DA4F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x00000255BF6DA720, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x00000255BF6DA3A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x00000255BF6DA330, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x00000255BF6DA480, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x00000255C1476F00, 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) : {3835133} normal block at 0x00000255BF6ABCE0, 8 bytes long.
Data: < f¿U > 00 00 66 BF 55 02 00 00
{3833975} normal block at 0x00000255BF6ABC90, 8 bytes long.
Data: <°DMÁU > B0 44 4D C1 55 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000255BF6B2C50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000255BF6A6FC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x00000255BF6B70D0, 16 bytes long.
Data: <èvk¿U > E8 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000255BF6B6A40, 16 bytes long.
Data: <Àvk¿U > C0 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000255BF6AFCA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x00000255BF6B64F0, 16 bytes long.
Data: < vk¿U > 98 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000255BF6B69F0, 16 bytes long.
Data: <pvk¿U > 70 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000255BF6B7080, 16 bytes long.
Data: <Hvk¿U > 48 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000255BF6B6950, 16 bytes long.
Data: < vk¿U > 20 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000255BF6B0190, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x00000255BF6B64A0, 16 bytes long.
Data: < œj¿U > 98 9C 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000255BF6AF160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x00000255BF6B6B80, 16 bytes long.
Data: <pœj¿U > 70 9C 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000255BF6B7030, 16 bytes long.
Data: <Hœj¿U > 48 9C 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000255BF6B6D60, 16 bytes long.
Data: < œj¿U > 20 9C 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000255BF6B6FE0, 16 bytes long.
Data: <ø›j¿U > F8 9B 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000255BF6B72B0, 16 bytes long.
Data: <Лj¿U > D0 9B 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000255BF6B67C0, 16 bytes long.
Data: <¨›j¿U > A8 9B 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000255BF6AEFE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x00000255BF6B6770, 16 bytes long.
Data: < ›j¿U > 80 9B 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000255BF6A9B80, 320 bytes long.
Data: <pgk¿U àïj¿U > 70 67 6B BF 55 02 00 00 E0 EF 6A BF 55 02 00 00
{283} normal block at 0x00000255BF6B68B0, 16 bytes long.
Data: < vk¿U > 00 76 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000255BF6B6C70, 16 bytes long.
Data: <Øuk¿U > D8 75 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000255BF6AF580, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x00000255BF6B6810, 16 bytes long.
Data: <°uk¿U > B0 75 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000255BF6AFA00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x00000255BF6B6B30, 16 bytes long.
Data: <øtk¿U > F8 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000255BF6B6900, 16 bytes long.
Data: <Ðtk¿U > D0 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000255BF6B65E0, 16 bytes long.
Data: <¨tk¿U > A8 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000255BF6B69A0, 16 bytes long.
Data: < tk¿U > 80 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000255BF6B6450, 16 bytes long.
Data: <Xtk¿U > 58 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000255BF6B6F90, 16 bytes long.
Data: <0tk¿U > 30 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000255BF6B6720, 16 bytes long.
Data: < k¿U > 20 01 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000255BF6B0120, 40 bytes long.
Data: < gk¿U oGÁU > 20 67 6B BF 55 02 00 00 00 6F 47 C1 55 02 00 00
{269} normal block at 0x00000255BF6B7260, 16 bytes long.
Data: < tk¿U > 10 74 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000255BF6B6F40, 16 bytes long.
Data: <èsk¿U > E8 73 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000255BF6AF280, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x00000255BF6B6C20, 16 bytes long.
Data: <Àsk¿U > C0 73 6B BF 55 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000255BF6B73C0, 992 bytes long.
Data: < lk¿U òj¿U > 20 6C 6B BF 55 02 00 00 80 F2 6A BF 55 02 00 00
{101} normal block at 0x00000255BF6AF400, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x00000255BF6ABBA0, 16 bytes long.
Data: < þj¿U > 80 FE 6A BF 55 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000255BF6AFE80, 40 bytes long.
Data: < »j¿U ôj¿U > A0 BB 6A BF 55 02 00 00 00 F4 6A BF 55 02 00 00
{78} normal block at 0x00000255BF6AB9C0, 16 bytes long.
Data: < ê²ó÷ > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000255BF6ABBF0, 16 bytes long.
Data: <@é²ó÷ > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000255BF6AB330, 16 bytes long.
Data: <øW¯ó÷ > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000255BF6ABB00, 16 bytes long.
Data: <ØW¯ó÷ > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000255BF6ABB50, 16 bytes long.
Data: <P ¯ó÷ > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000255BF6AB150, 16 bytes long.
Data: <0 ¯ó÷ > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000255BF6AB010, 16 bytes long.
Data: <à ¯ó÷ > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000255BF6AB2E0, 16 bytes long.
Data: < ¯ó÷ > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000255BF6AAFC0, 16 bytes long.
Data: <p ¯ó÷ > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000255BF6AB510, 16 bytes long.
Data: < À­ó÷ > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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