Task 38686931
| Name | test_737-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1099_0 |
| Workunit | 31628340 |
| Created | 28 Oct 2026, 5:08:36 UTC |
| Sent | 28 Oct 2026, 5:08:46 UTC |
| Report deadline | 2 Nov 2026, 5:08:46 UTC |
| Received | 28 Oct 2026, 5:47:06 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654838 |
| Run time | 15 min 25 sec |
| CPU time | 14 min 11 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 82,578.99 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.95 MB |
| Peak swap size | 13.19 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:31:51 (51352): wrapper (7.9.26016): starting
01:31:51 (51352): 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
01:31:52 (51352): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:31:52 (51352): 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
01:46:37 (51352): C:/Windows/system32/cmd.exe exited; CPU time 851.968750
01:46:37 (51352): 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: 21539463 bytes.
Dumping objects ->
{3835501} normal block at 0x0000027B29A64100, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835490} normal block at 0x0000027B29A64020, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835479} normal block at 0x0000027B29A63FB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835468} normal block at 0x0000027B29A63CA0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835457} normal block at 0x0000027B29A63C30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835426} normal block at 0x0000027B2B81B300, 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) : {3835413} normal block at 0x0000027B29A5DC00, 8 bytes long.
Data: < £){ > 00 00 A3 29 7B 02 00 00
{3833939} normal block at 0x0000027B29A5E790, 8 bytes long.
Data: < PŒ+{ > 10 50 8C 2B 7B 02 00 00
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000027B29A5F610, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027B29A575B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{285} normal block at 0x0000027B29A65970, 16 bytes long.
Data: <ÈI¦){ > C8 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027B29A65560, 16 bytes long.
Data: < I¦){ > A0 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027B29A62FB0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{282} normal block at 0x0000027B29A64E30, 16 bytes long.
Data: <xI¦){ > 78 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027B29A65010, 16 bytes long.
Data: <PI¦){ > 50 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027B29A64F20, 16 bytes long.
Data: <(I¦){ > 28 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027B29A65A60, 16 bytes long.
Data: < I¦){ > 00 49 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027B29A63DF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{277} normal block at 0x0000027B29A653D0, 16 bytes long.
Data: <Xþ¤){ > 58 FE A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027B29A637F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{275} normal block at 0x0000027B29A65600, 16 bytes long.
Data: <0þ¤){ > 30 FE A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000027B29A64CA0, 16 bytes long.
Data: < þ¤){ > 08 FE A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027B29A64C00, 16 bytes long.
Data: <àý¤){ > E0 FD A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027B29A65A10, 16 bytes long.
Data: <¸ý¤){ > B8 FD A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027B29A659C0, 16 bytes long.
Data: < ý¤){ > 90 FD A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027B29A65470, 16 bytes long.
Data: <hý¤){ > 68 FD A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027B29A63010, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{267} normal block at 0x0000027B29A64B10, 16 bytes long.
Data: <@ý¤){ > 40 FD A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027B29A4FD40, 320 bytes long.
Data: < K¦){ 0¦){ > 10 4B A6 29 7B 02 00 00 10 30 A6 29 7B 02 00 00
{265} normal block at 0x0000027B29A65380, 16 bytes long.
Data: <àH¦){ > E0 48 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027B29A65290, 16 bytes long.
Data: <¸H¦){ > B8 48 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027B29A633D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{262} normal block at 0x0000027B29A65880, 16 bytes long.
Data: < H¦){ > 90 48 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027B29A63370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{260} normal block at 0x0000027B29A65510, 16 bytes long.
Data: <ØG¦){ > D8 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000027B29A65240, 16 bytes long.
Data: <°G¦){ > B0 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027B29A64E80, 16 bytes long.
Data: < G¦){ > 88 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027B29A64FC0, 16 bytes long.
Data: <`G¦){ > 60 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000027B29A5E1F0, 16 bytes long.
Data: <8G¦){ > 38 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027B29A5E150, 16 bytes long.
Data: < G¦){ > 10 47 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000027B29A5E0B0, 16 bytes long.
Data: <À;¦){ > C0 3B A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000027B29A63BC0, 40 bytes long.
Data: <°à¥){ ³ +{ > B0 E0 A5 29 7B 02 00 00 00 B3 81 2B 7B 02 00 00
{251} normal block at 0x0000027B29A5E060, 16 bytes long.
Data: <ðF¦){ > F0 46 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000027B29A5DED0, 16 bytes long.
Data: <ÈF¦){ > C8 46 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{249} normal block at 0x0000027B29A63970, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{248} normal block at 0x0000027B29A5DE80, 16 bytes long.
Data: < F¦){ > A0 46 A6 29 7B 02 00 00 00 00 00 00 00 00 00 00
{247} normal block at 0x0000027B29A646A0, 992 bytes long.
Data: < Þ¥){ p9¦){ > 80 DE A5 29 7B 02 00 00 70 39 A6 29 7B 02 00 00
{83} normal block at 0x0000027B29A63790, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{82} normal block at 0x0000027B29A5DCA0, 16 bytes long.
Data: <àä){ > E0 C3 A4 29 7B 02 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000027B29A4C3E0, 40 bytes long.
Data: < Ü¥){ 7¦){ > A0 DC A5 29 7B 02 00 00 90 37 A6 29 7B 02 00 00
{60} normal block at 0x0000027B29A5E6F0, 16 bytes long.
Data: < ê^S÷ > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027B29A5E5B0, 16 bytes long.
Data: <@é^S÷ > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000027B29A5DAC0, 16 bytes long.
Data: <øW[S÷ > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000027B29A5E970, 16 bytes long.
Data: <ØW[S÷ > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000027B29A5DC50, 16 bytes long.
Data: <P [S÷ > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000027B29A5E8D0, 16 bytes long.
Data: <0 [S÷ > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000027B29A5E880, 16 bytes long.
Data: <à [S÷ > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x0000027B29A5E830, 16 bytes long.
Data: < [S÷ > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x0000027B29A5DFC0, 16 bytes long.
Data: <p [S÷ > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00
{51} normal block at 0x0000027B29A5E7E0, 16 bytes long.
Data: < ÀYS÷ > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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