Task 38699451

Name test_687-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND7624_0
Workunit 31639854
Created 4 Nov 2026, 8:48:02 UTC
Sent 4 Nov 2026, 8:48:04 UTC
Report deadline 9 Nov 2026, 8:48:04 UTC
Received 4 Nov 2026, 10:07:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 552686
Run time 54 min 46 sec
CPU time 54 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.48 MB
Peak swap size 2.97 GB
Peak disk usage 1.47 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:00:03 (34056): wrapper (7.9.26016): starting
20:00:03 (34056): 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
20:00:26 (34056): Library/usr/bin/tar.exe exited; CPU time 0.109375
20:00:26 (34056): 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 'E:\boincdata\slots\4\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 'E:\boincdata\slots\4\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
21:06:43 (34056): C:/Windows/system32/cmd.exe exited; CPU time 3286.093750
21:06:43 (34056): 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: 97574255 bytes.
Dumping objects ->
{3835260} normal block at 0x000002605477E500, 48 bytes long.
 Data: <PATH=E:\boincdat> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835249} normal block at 0x0000026054818CE0, 32 bytes long.
 Data: <HOME=E:\boincdat> 48 4F 4D 45 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835238} normal block at 0x0000026054819400, 32 bytes long.
 Data: <TMP=E:\boincdata> 54 4D 50 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 61 
{3835227} normal block at 0x0000026054819100, 32 bytes long.
 Data: <TEMP=E:\boincdat> 54 45 4D 50 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
{3835216} normal block at 0x00000260548191C0, 32 bytes long.
 Data: <TMPDIR=E:\boincd> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 69 6E 63 64 
{3835185} normal block at 0x0000026051F36330, 48 bytes long.
 Data: <PATH=E:\boincdat> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 64 61 74 
..\api\boinc_api.cpp(309) : {3835172} normal block at 0x0000026051F2B180, 8 bytes long.
 Data: <  DR`   > 00 00 44 52 60 02 00 00 
{3833963} normal block at 0x0000026051F2B2C0, 8 bytes long.
 Data: < k&#133;T`   > 80 6B 85 54 60 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026051F21FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026051F28C90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026051F37230, 16 bytes long.
 Data: <&#232;x&#243;Q`           > E8 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026051F36600, 16 bytes long.
 Data: <&#192;x&#243;Q`           > C0 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026051F30FD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026051F37370, 16 bytes long.
 Data: < x&#243;Q`           > 98 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026051F366A0, 16 bytes long.
 Data: <px&#243;Q`           > 70 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026051F366F0, 16 bytes long.
 Data: <Hx&#243;Q`           > 48 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026051F36E20, 16 bytes long.
 Data: < x&#243;Q`           > 20 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026051F36170, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000026051F36970, 16 bytes long.
 Data: <&#200; &#242;Q`           > C8 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026051F31090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000026051F370F0, 16 bytes long.
 Data: <&#160; &#242;Q`           > A0 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026051F37190, 16 bytes long.
 Data: <x &#242;Q`           > 78 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026051F36880, 16 bytes long.
 Data: <P &#242;Q`           > 50 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026051F36DD0, 16 bytes long.
 Data: <( &#242;Q`           > 28 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026051F36B50, 16 bytes long.
 Data: <  &#242;Q`           > 00 03 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026051F37500, 16 bytes long.
 Data: <&#216; &#242;Q`           > D8 02 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026051F309D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000026051F373C0, 16 bytes long.
 Data: <&#176; &#242;Q`           > B0 02 F2 51 60 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026051F202B0, 320 bytes long.
 Data: <&#192;s&#243;Q`   &#208;	&#243;Q`   > C0 73 F3 51 60 02 00 00 D0 09 F3 51 60 02 00 00 
{277} normal block at 0x0000026051F36650, 16 bytes long.
 Data: < x&#243;Q`           > 00 78 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026051F36D30, 16 bytes long.
 Data: <&#216;w&#243;Q`           > D8 77 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026051F30D30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026051F37320, 16 bytes long.
 Data: <&#176;w&#243;Q`           > B0 77 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026051F30970, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000026051F374B0, 16 bytes long.
 Data: <&#248;v&#243;Q`           > F8 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026051F37460, 16 bytes long.
 Data: <&#208;v&#243;Q`           > D0 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026051F37280, 16 bytes long.
 Data: <&#168;v&#243;Q`           > A8 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026051F37140, 16 bytes long.
 Data: < v&#243;Q`           > 80 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026051F36CE0, 16 bytes long.
 Data: <Xv&#243;Q`           > 58 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026051F36790, 16 bytes long.
 Data: <0v&#243;Q`           > 30 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026051F37050, 16 bytes long.
 Data: <`^&#243;Q`           > 60 5E F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026051F35E60, 40 bytes long.
 Data: <Pp&#243;Q`   0c&#243;Q`   > 50 70 F3 51 60 02 00 00 30 63 F3 51 60 02 00 00 
{263} normal block at 0x0000026051F372D0, 16 bytes long.
 Data: < v&#243;Q`           > 10 76 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026051F36D80, 16 bytes long.
 Data: <&#232;u&#243;Q`           > E8 75 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026051F30490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026051F371E0, 16 bytes long.
 Data: <&#192;u&#243;Q`           > C0 75 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026051F375C0, 992 bytes long.
 Data: <&#224;q&#243;Q`     &#243;Q`   > E0 71 F3 51 60 02 00 00 90 04 F3 51 60 02 00 00 
{95} normal block at 0x0000026051F30BB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000026051F2BAE0, 16 bytes long.
 Data: <&#160;c&#243;Q`           > A0 63 F3 51 60 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026051F363A0, 40 bytes long.
 Data: <&#224;&#186;&#242;Q`   &#176; &#243;Q`   > E0 BA F2 51 60 02 00 00 B0 0B F3 51 60 02 00 00 
{72} normal block at 0x0000026051F2BC20, 16 bytes long.
 Data: < &#234; &#240;&#247;           > 80 EA 13 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026051F2BA90, 16 bytes long.
 Data: <@&#233; &#240;&#247;           > 40 E9 13 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026051F2B090, 16 bytes long.
 Data: <&#248;W &#240;&#247;           > F8 57 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026051F2BF40, 16 bytes long.
 Data: <&#216;W &#240;&#247;           > D8 57 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026051F2B0E0, 16 bytes long.
 Data: <P  &#240;&#247;           > 50 04 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026051F2B040, 16 bytes long.
 Data: <0  &#240;&#247;           > 30 04 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026051F2BC70, 16 bytes long.
 Data: <&#224;  &#240;&#247;           > E0 02 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026051F2BEF0, 16 bytes long.
 Data: <   &#240;&#247;           > 10 04 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026051F2B400, 16 bytes long.
 Data: <p  &#240;&#247;           > 70 04 10 F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026051F2BA40, 16 bytes long.
 Data: < &#192; &#240;&#247;           > 18 C0 0E F0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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