Task 38667350
| Name | test_671-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND4866_0 |
| Workunit | 31609988 |
| Created | 25 Oct 2026, 7:33:46 UTC |
| Sent | 25 Oct 2026, 7:33:49 UTC |
| Report deadline | 30 Oct 2026, 7:33:49 UTC |
| Received | 25 Oct 2026, 8:28:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644627 |
| Run time | 29 min 39 sec |
| CPU time | 26 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,771.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.72 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:59:01 (31224): wrapper (7.9.26016): starting
03:59:01 (31224): 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
03:59:03 (31224): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:59:03 (31224): 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
04:27:18 (31224): C:/Windows/system32/cmd.exe exited; CPU time 1580.843750
04:27:18 (31224): 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: 33169593 bytes.
Dumping objects ->
{3835428} normal block at 0x0000026318E76C10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835417} normal block at 0x00000263170E3240, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835406} normal block at 0x00000263170E31D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835395} normal block at 0x00000263170E3160, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835384} normal block at 0x00000263170E30F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835353} normal block at 0x0000026318E1B5A0, 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) : {3835340} normal block at 0x00000263170DE080, 8 bytes long.
Data: < K c > 00 00 4B 17 63 02 00 00
{3833959} normal block at 0x00000263170DEA80, 8 bytes long.
Data: < +ì c > 10 2B EC 18 63 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000263170DF770, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000263170D60A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000263170E4680, 16 bytes long.
Data: <x7 c > 78 37 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000263170E4630, 16 bytes long.
Data: <P7 c > 50 37 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000263170DD0B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000263170E3A50, 16 bytes long.
Data: <(7 c > 28 37 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000263170E4310, 16 bytes long.
Data: < 7 c > 00 37 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000263170E4090, 16 bytes long.
Data: <Ø6 c > D8 36 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000263170E3F50, 16 bytes long.
Data: <°6 c > B0 36 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000263170E3390, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000263170E3D70, 16 bytes long.
Data: < ô c > 98 F4 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000263170DCD50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000263170E41D0, 16 bytes long.
Data: <pô c > 70 F4 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000263170E4270, 16 bytes long.
Data: <Hô c > 48 F4 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000263170E3AF0, 16 bytes long.
Data: < ô c > 20 F4 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000263170E45E0, 16 bytes long.
Data: <øó c > F8 F3 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000263170E4590, 16 bytes long.
Data: <Ðó c > D0 F3 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000263170E4040, 16 bytes long.
Data: <¨ó c > A8 F3 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000263170DD770, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000263170E4810, 16 bytes long.
Data: < ó c > 80 F3 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000263170CF380, 320 bytes long.
Data: < H c p× c > 10 48 0E 17 63 02 00 00 70 D7 0D 17 63 02 00 00
{275} normal block at 0x00000263170E42C0, 16 bytes long.
Data: < 6 c > 90 36 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000263170E3EB0, 16 bytes long.
Data: <h6 c > 68 36 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000263170DD9B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000263170E4540, 16 bytes long.
Data: <@6 c > 40 36 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000263170DD290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000263170E47C0, 16 bytes long.
Data: < 5 c > 88 35 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000263170E40E0, 16 bytes long.
Data: <`5 c > 60 35 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000263170E4770, 16 bytes long.
Data: <85 c > 38 35 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000263170E4720, 16 bytes long.
Data: < 5 c > 10 35 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000263170E3E60, 16 bytes long.
Data: <è4 c > E8 34 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000263170DEC60, 16 bytes long.
Data: <À4 c > C0 34 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000263170DE990, 16 bytes long.
Data: < 3 c > 20 33 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000263170E3320, 40 bytes long.
Data: < é c  µá c > 90 E9 0D 17 63 02 00 00 A0 B5 E1 18 63 02 00 00
{261} normal block at 0x00000263170DE8A0, 16 bytes long.
Data: < 4 c > A0 34 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000263170DE760, 16 bytes long.
Data: <x4 c > 78 34 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000263170DD1D0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000263170DE5D0, 16 bytes long.
Data: <P4 c > 50 34 0E 17 63 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000263170E3450, 992 bytes long.
Data: <Ðå c ÐÑ c > D0 E5 0D 17 63 02 00 00 D0 D1 0D 17 63 02 00 00
{93} normal block at 0x00000263170DDC50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000263170DE3F0, 16 bytes long.
Data: < ð c > 80 F0 0C 17 63 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000263170CF080, 40 bytes long.
Data: <ðã c PÜ c > F0 E3 0D 17 63 02 00 00 50 DC 0D 17 63 02 00 00
{70} normal block at 0x00000263170DE8F0, 16 bytes long.
Data: < êù ö > 80 EA F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000263170DE940, 16 bytes long.
Data: <@éù ö > 40 E9 F9 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000263170DE030, 16 bytes long.
Data: <øWö ö > F8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000263170DEA30, 16 bytes long.
Data: <ØWö ö > D8 57 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000263170DDF90, 16 bytes long.
Data: <P ö ö > 50 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000263170DE350, 16 bytes long.
Data: <0 ö ö > 30 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000263170DDFE0, 16 bytes long.
Data: <à ö ö > E0 02 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000263170DE670, 16 bytes long.
Data: < ö ö > 10 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000263170DE4E0, 16 bytes long.
Data: <p ö ö > 70 04 F6 17 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000263170DE800, 16 bytes long.
Data: < Àô ö > 18 C0 F4 17 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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