Task 38672840
| Name | test_338-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4968_0 |
| Workunit | 31614955 |
| Created | 26 Oct 2026, 0:38:01 UTC |
| Sent | 26 Oct 2026, 0:38:03 UTC |
| Report deadline | 31 Oct 2026, 0:38:03 UTC |
| Received | 26 Oct 2026, 1:34:13 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 185928 |
| Run time | 22 min 21 sec |
| CPU time | 21 min 30 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,775.47 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.61 MB |
| Peak swap size | 12.98 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:39:03 (52972): wrapper (7.9.26016): starting
20:39:03 (52972): 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
20:39:04 (52972): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:39:04 (52972): 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 'G:\BoincData\slots\17\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 'G:\BoincData\slots\17\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
21:00:33 (52972): C:/Windows/system32/cmd.exe exited; CPU time 1290.578125
21:00:33 (52972): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 27564443 bytes.
Dumping objects ->
{3835574} normal block at 0x000001F9A3260840, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835563} normal block at 0x000001F9A33AA170, 32 bytes long.
Data: <HOME=G:\BoincDat> 48 4F 4D 45 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835552} normal block at 0x000001F9A33AAA70, 32 bytes long.
Data: <TMP=G:\BoincData> 54 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74 61
{3835541} normal block at 0x000001F9A33A9690, 32 bytes long.
Data: <TEMP=G:\BoincDat> 54 45 4D 50 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
{3835530} normal block at 0x000001F9A33A97B0, 32 bytes long.
Data: <TMPDIR=G:\BoincD> 54 4D 50 44 49 52 3D 47 3A 5C 42 6F 69 6E 63 44
{3835499} normal block at 0x000001F9A3261020, 48 bytes long.
Data: <PATH=G:\BoincDat> 50 41 54 48 3D 47 3A 5C 42 6F 69 6E 63 44 61 74
..\api\boinc_api.cpp(309) : {3835486} normal block at 0x000001F9A16C0760, 8 bytes long.
Data: < £ù > 00 00 14 A3 F9 01 00 00
{3833957} normal block at 0x000001F9A16C08A0, 8 bytes long.
Data: <@åy¡ù > 40 E5 79 A1 F9 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F9A16CE5E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F9A16BB9D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000001F9A16CD1B0, 16 bytes long.
Data: <XÞl¡ù > 58 DE 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F9A16CD8E0, 16 bytes long.
Data: <0Þl¡ù > 30 DE 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001F9A16C9C80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000001F9A16CD070, 16 bytes long.
Data: < Þl¡ù > 08 DE 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F9A16CD890, 16 bytes long.
Data: <àÝl¡ù > E0 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F9A16CD840, 16 bytes long.
Data: <¸Ýl¡ù > B8 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F9A16CCF80, 16 bytes long.
Data: < Ýl¡ù > 90 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F9A16C6DE0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000001F9A16CD660, 16 bytes long.
Data: < Il¡ù > 08 49 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F9A16CA220, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000001F9A16CD610, 16 bytes long.
Data: <àHl¡ù > E0 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F9A16CD480, 16 bytes long.
Data: <¸Hl¡ù > B8 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F9A16CD3E0, 16 bytes long.
Data: < Hl¡ù > 90 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F9A16CDA70, 16 bytes long.
Data: <hHl¡ù > 68 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F9A16CD390, 16 bytes long.
Data: <@Hl¡ù > 40 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F9A16CD430, 16 bytes long.
Data: < Hl¡ù > 18 48 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001F9A16CA4C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001F9A16CD520, 16 bytes long.
Data: <ðGl¡ù > F0 47 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001F9A16C47F0, 320 bytes long.
Data: < Õl¡ù À¤l¡ù > 20 D5 6C A1 F9 01 00 00 C0 A4 6C A1 F9 01 00 00
{274} normal block at 0x000001F9A16CCD00, 16 bytes long.
Data: <pÝl¡ù > 70 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F9A16CD110, 16 bytes long.
Data: <HÝl¡ù > 48 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F9A16C9F80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000001F9A16CD2F0, 16 bytes long.
Data: < Ýl¡ù > 20 DD 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F9A16C9740, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000001F9A16CCCB0, 16 bytes long.
Data: <hÜl¡ù > 68 DC 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F9A16CCC10, 16 bytes long.
Data: <@Ül¡ù > 40 DC 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F9A16CD4D0, 16 bytes long.
Data: < Ül¡ù > 18 DC 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F9A16CCBC0, 16 bytes long.
Data: <ðÛl¡ù > F0 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F9A16CD9D0, 16 bytes long.
Data: <ÈÛl¡ù > C8 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F9A16CD7F0, 16 bytes long.
Data: < Ûl¡ù > A0 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F9A16CD6B0, 16 bytes long.
Data: <0ol¡ù > 30 6F 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001F9A16C6F30, 40 bytes long.
Data: <°Öl¡ù &£ù > B0 D6 6C A1 F9 01 00 00 20 10 26 A3 F9 01 00 00
{260} normal block at 0x000001F9A16CCF30, 16 bytes long.
Data: < Ûl¡ù > 80 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F9A16CD340, 16 bytes long.
Data: <XÛl¡ù > 58 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001F9A16C9B60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000001F9A16CD5C0, 16 bytes long.
Data: <0Ûl¡ù > 30 DB 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001F9A16CDB30, 992 bytes long.
Data: <ÀÕl¡ù `›l¡ù > C0 D5 6C A1 F9 01 00 00 60 9B 6C A1 F9 01 00 00
{92} normal block at 0x000001F9A16CA1C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000001F9A16BFFE0, 16 bytes long.
Data: <Ànl¡ù > C0 6E 6C A1 F9 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001F9A16C6EC0, 40 bytes long.
Data: <àÿk¡ù À¡l¡ù > E0 FF 6B A1 F9 01 00 00 C0 A1 6C A1 F9 01 00 00
{69} normal block at 0x000001F9A16C02B0, 16 bytes long.
Data: < ê~ ö > 80 EA 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F9A16C05D0, 16 bytes long.
Data: <@é~ ö > 40 E9 7E 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F9A16BFF40, 16 bytes long.
Data: <øW{ ö > F8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F9A16C0A80, 16 bytes long.
Data: <ØW{ ö > D8 57 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F9A16C0620, 16 bytes long.
Data: <P { ö > 50 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F9A16BFEF0, 16 bytes long.
Data: <0 { ö > 30 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F9A16C0210, 16 bytes long.
Data: <à { ö > E0 02 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F9A16C0170, 16 bytes long.
Data: < { ö > 10 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F9A16C0D50, 16 bytes long.
Data: <p { ö > 70 04 7B 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001F9A16C0CB0, 16 bytes long.
Data: < Ày ö > 18 C0 79 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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